4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine — IUPAC name, SMILES, InChIKey & properties

Name: 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine

4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine (PubChem CID 159941037) has the molecular formula C118H147F3N16O6S9 and a molecular weight of 2231.18 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name	4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine
PubChem CID	159941037
Molecular Formula	C118H147F3N16O6S9
Molecular Weight	2231.18 g/mol
Exact Mass	2228.91
IUPAC Name	4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine
SMILES	C.C.C.C.C.C.C.C.COc1ccccc1-c1csc(N2CCOCC2)n1.Cc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1.Cc1cccc(-c2csc(N3CCOCC3)n2)c1.Fc1ccc(-c2csc(N3CCOCC3)n2)cc1.Fc1ccc(-c2csc(N3CCOCC3)n2)cc1F.c1ccc(-c2csc(-c3ccncc3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCSCC3)n2)cc1
InChI	InChI=1S/C15H18N2OS.C14H16N2O2S.C14H16N2OS.C14H16N2S.C14H10N2S.C13H12F2N2OS.C13H13FN2OS.C13H14N2S2.8CH4/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17;1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16;1-11-3-2-4-12(9-11)13-10-18-14(15-13)16-5-7-17-8-6-16;1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16;1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;14-10-2-1-9(7-11(10)15)12-8-19-13(16-12)17-3-5-18-6-4-17;14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16;1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15;;;;;;;;/h3-4,9-10H,5-8H2,1-2H3;2-5,10H,6-9H2,1H3;2-4,9-10H,5-8H2,1H3;1,3-4,7-8,11H,2,5-6,9-10H2;1-10H;1-2,7-8H,3-6H2;1-4,9H,5-8H2;1-5,10H,6-9H2;8*1H4
InChIKey	OAWPFZYBAMLXOP-UHFFFAOYSA-N
XLogP	30.71
TPSA	194.07 Å²
H-Bond Donors
H-Bond Acceptors	31
Rotatable Bonds	17
Heavy Atoms	152
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.18
LogP ≤ 5	30.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Analyze 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?

The IUPAC name of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine (CID 159941037) is 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine.

What is the SMILES notation for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?

The canonical SMILES for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine is C.C.C.C.C.C.C.C.COc1ccccc1-c1csc(N2CCOCC2)n1.Cc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1.Cc1cccc(-c2csc(N3CCOCC3)n2)c1.Fc1ccc(-c2csc(N3CCOCC3)n2)cc1.Fc1ccc(-c2csc(N3CCOCC3)n2)cc1F.c1ccc(-c2csc(-c3ccncc3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCSCC3)n2)cc1.

What is the InChIKey of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?

The InChIKey is OAWPFZYBAMLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.C14H16N2O2S.C14H16N2OS.C14H16N2S.C14H10N2S.C13H12F2N2OS.C13H13FN2OS.C13H14N2S2.8CH4/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17;1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16;1-11-3-2-4-12(9-11)13-10-18-14(15-13)16-5-7-17-8-6-16;1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16;1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;14-10-2-1-9(7-11(10)15)12-8-19-13(16-12)17-3-5-18-6-4-17;14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16;1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15;;;;;;;;/h3-4,9-10H,5-8H2,1-2H3;2-5,10H,6-9H2,1H3;2-4,9-10H,5-8H2,1H3;1,3-4,7-8,11H,2,5-6,9-10H2;1-10H;1-2,7-8H,3-6H2;1-4,9H,5-8H2;1-5,10H,6-9H2;8*1H4.

What are the key properties of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?

Where does this data come from?

All data for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]morpholine;methane;4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]morpholine;4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-pyridin-4-yl-1,3-thiazole;4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine is sourced from PubChem (CID 159941037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).