4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline

C120H138ClFN40O8S5 — CID 158289912

IUPAC4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Cc1cc(OCc2csc(C3CCNCC3)n2)c(C(C)C)cc1-n1cnnn1.Clc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Fc1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1NCc1csc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1ccn(-c2ccc(OCc3csc(C4CCNCC4)n3)cc2)c1
InChIInChI=1S/C20H26N6OS.C19H21N3OS.C17H20N6OS.C16H17ClN6OS.C16H17FN6O2.C16H19N7S.C16H18N6O2/c1-13(2)17-9-18(26-12-22-24-25-26)14(3)8-19(17)27-10-16-11-28-20(23-16)15-4-6-21-7-5-15;1-2-12-22(11-1)17-3-5-18(6-4-17)23-13-16-14-24-19(21-16)15-7-9-20-10-8-15;1-12-8-15(23-11-19-21-22-23)2-3-16(12)24-9-14-10-25-17(20-14)13-4-6-18-7-5-13;2*17-14-7-13(23-10-19-21-22-23)1-2-15(14)24-8-12-9-25-16(20-12)11-3-5-18-6-4-11;1-3-15(23-11-19-21-22-23)4-2-13(1)18-9-14-10-24-16(20-14)12-5-7-17-8-6-12;1-3-15(4-2-14(1)22-11-18-20-21-22)23-9-13-10-24-16(19-13)12-5-7-17-8-6-12/h8-9,11-13,15,21H,4-7,10H2,1-3H3;1-6,11-12,14-15,20H,7-10,13H2;2-3,8,10-11,13,18H,4-7,9H2,1H3;2*1-2,7,9-11,18H,3-6,8H2;1-4,10-12,17-18H,5-9H2;1-4,10-12,17H,5-9H2
InChIKeyGLFNJRHUAWXMJY-UHFFFAOYSA-N
MW2483.48 g/mol
LogP18.60
Rot. Bonds36

About 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline

4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 158289912) has the molecular formula C120H138ClFN40O8S5 and a molecular weight of 2483.48 g/mol. Its IUPAC name is 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID158289912
Molecular FormulaC120H138ClFN40O8S5
Molecular Weight2483.48 g/mol
Exact Mass2480.99
IUPAC Name4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Cc1cc(OCc2csc(C3CCNCC3)n2)c(C(C)C)cc1-n1cnnn1.Clc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Fc1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1NCc1csc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1ccn(-c2ccc(OCc3csc(C4CCNCC4)n3)cc2)c1
InChIInChI=1S/C20H26N6OS.C19H21N3OS.C17H20N6OS.C16H17ClN6OS.C16H17FN6O2.C16H19N7S.C16H18N6O2/c1-13(2)17-9-18(26-12-22-24-25-26)14(3)8-19(17)27-10-16-11-28-20(23-16)15-4-6-21-7-5-15;1-2-12-22(11-1)17-3-5-18(6-4-17)23-13-16-14-24-19(21-16)15-7-9-20-10-8-15;1-12-8-15(23-11-19-21-22-23)2-3-16(12)24-9-14-10-25-17(20-14)13-4-6-18-7-5-13;2*17-14-7-13(23-10-19-21-22-23)1-2-15(14)24-8-12-9-25-16(20-12)11-3-5-18-6-4-11;1-3-15(23-11-19-21-22-23)4-2-13(1)18-9-14-10-24-16(20-14)12-5-7-17-8-6-12;1-3-15(4-2-14(1)22-11-18-20-21-22)23-9-13-10-24-16(19-13)12-5-7-17-8-6-12/h8-9,11-13,15,21H,4-7,10H2,1-3H3;1-6,11-12,14-15,20H,7-10,13H2;2-3,8,10-11,13,18H,4-7,9H2,1H3;2*1-2,7,9-11,18H,3-6,8H2;1-4,10-12,17-18H,5-9H2;1-4,10-12,17H,5-9H2
InChIKeyGLFNJRHUAWXMJY-UHFFFAOYSA-N
XLogP18.60
TPSA534.66 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.48
LogP ≤ 518.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Analyze 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 158289912) is 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Cc1cc(OCc2csc(C3CCNCC3)n2)c(C(C)C)cc1-n1cnnn1.Clc1cc(-n2cnnn2)ccc1OCc1csc(C2CCNCC2)n1.Fc1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1NCc1csc(C2CCNCC2)n1.c1cc(-n2cnnn2)ccc1OCc1coc(C2CCNCC2)n1.c1ccn(-c2ccc(OCc3csc(C4CCNCC4)n3)cc2)c1.
What is the InChIKey of 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is GLFNJRHUAWXMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS.C19H21N3OS.C17H20N6OS.C16H17ClN6OS.C16H17FN6O2.C16H19N7S.C16H18N6O2/c1-13(2)17-9-18(26-12-22-24-25-26)14(3)8-19(17)27-10-16-11-28-20(23-16)15-4-6-21-7-5-15;1-2-12-22(11-1)17-3-5-18(6-4-17)23-13-16-14-24-19(21-16)15-7-9-20-10-8-15;1-12-8-15(23-11-19-21-22-23)2-3-16(12)24-9-14-10-25-17(20-14)13-4-6-18-7-5-13;2*17-14-7-13(23-10-19-21-22-23)1-2-15(14)24-8-12-9-25-16(20-12)11-3-5-18-6-4-11;1-3-15(23-11-19-21-22-23)4-2-13(1)18-9-14-10-24-16(20-14)12-5-7-17-8-6-12;1-3-15(4-2-14(1)22-11-18-20-21-22)23-9-13-10-24-16(19-13)12-5-7-17-8-6-12/h8-9,11-13,15,21H,4-7,10H2,1-3H3;1-6,11-12,14-15,20H,7-10,13H2;2-3,8,10-11,13,18H,4-7,9H2,1H3;2*1-2,7,9-11,18H,3-6,8H2;1-4,10-12,17-18H,5-9H2;1-4,10-12,17H,5-9H2.
What are the key properties of 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 2483.48 g/mol, XLogP of 18.60, 36 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-oxazole;4-[[5-methyl-2-propan-2-yl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]-2-piperidin-4-yl-1,3-thiazole;2-piperidin-4-yl-4-[(4-pyrrol-1-ylphenoxy)methyl]-1,3-thiazole;2-piperidin-4-yl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole;N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 158289912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).