8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine

C74H75Cl4N13O4S4 — CID 158507560

IUPAC8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
SMILESC=C1NCCC(c2ccc(Cl)cc2)c2sc(-c3ccncc3)nc21.C=C1NCCC(c2ccc(Cl)cc2)c2sc(N3CCOCC3)nc21.CN1CCC(c2ccc(Cl)cc2)c2nc(N3CCOCC3)sc2C1=O.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C19H19ClN4OS.C19H16ClN3S.C18H20ClN3O2S.C18H20ClN3OS/c20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;1-12-17-18(24-19(23-17)14-6-9-21-10-7-14)16(8-11-22-12)13-2-4-15(20)5-3-13;1-21-7-6-14(12-2-4-13(19)5-3-12)15-16(17(21)23)25-18(20-15)22-8-10-24-11-9-22;1-12-16-17(24-18(21-16)22-8-10-23-11-9-22)15(6-7-20-12)13-2-4-14(19)5-3-13/h1-2,4-5,11,15H,3,6-10H2,(H,21,23);2-7,9-10,16,22H,1,8,11H2;2-5,14H,6-11H2,1H3;2-5,15,20H,1,6-11H2
InChIKeyHKQJNOKLXCTOOV-UHFFFAOYSA-N
MW1480.58 g/mol
LogP16.03
Rot. Bonds8

About 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine

8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine (PubChem CID 158507560) has the molecular formula C74H75Cl4N13O4S4 and a molecular weight of 1480.58 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
PubChem CID158507560
Molecular FormulaC74H75Cl4N13O4S4
Molecular Weight1480.58 g/mol
Exact Mass1477.37
IUPAC Name8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine
SMILESC=C1NCCC(c2ccc(Cl)cc2)c2sc(-c3ccncc3)nc21.C=C1NCCC(c2ccc(Cl)cc2)c2sc(N3CCOCC3)nc21.CN1CCC(c2ccc(Cl)cc2)c2nc(N3CCOCC3)sc2C1=O.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C19H19ClN4OS.C19H16ClN3S.C18H20ClN3O2S.C18H20ClN3OS/c20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;1-12-17-18(24-19(23-17)14-6-9-21-10-7-14)16(8-11-22-12)13-2-4-15(20)5-3-13;1-21-7-6-14(12-2-4-13(19)5-3-12)15-16(17(21)23)25-18(20-15)22-8-10-24-11-9-22;1-12-16-17(24-18(21-16)22-8-10-23-11-9-22)15(6-7-20-12)13-2-4-14(19)5-3-13/h1-2,4-5,11,15H,3,6-10H2,(H,21,23);2-7,9-10,16,22H,1,8,11H2;2-5,14H,6-11H2,1H3;2-5,15,20H,1,6-11H2
InChIKeyHKQJNOKLXCTOOV-UHFFFAOYSA-N
XLogP16.03
TPSA174.91 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.58
LogP ≤ 516.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The IUPAC name of 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine (CID 158507560) is 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine.
What is the SMILES notation for 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The canonical SMILES for 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine is C=C1NCCC(c2ccc(Cl)cc2)c2sc(-c3ccncc3)nc21.C=C1NCCC(c2ccc(Cl)cc2)c2sc(N3CCOCC3)nc21.CN1CCC(c2ccc(Cl)cc2)c2nc(N3CCOCC3)sc2C1=O.Clc1ccc(C2CCc3cn[nH]c3-c3sc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
The InChIKey is HKQJNOKLXCTOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS.C19H16ClN3S.C18H20ClN3O2S.C18H20ClN3OS/c20-14-4-1-12(2-5-14)15-6-3-13-11-21-23-16(13)18-17(15)22-19(26-18)24-7-9-25-10-8-24;1-12-17-18(24-19(23-17)14-6-9-21-10-7-14)16(8-11-22-12)13-2-4-15(20)5-3-13;1-21-7-6-14(12-2-4-13(19)5-3-12)15-16(17(21)23)25-18(20-15)22-8-10-24-11-9-22;1-12-16-17(24-18(21-16)22-8-10-23-11-9-22)15(6-7-20-12)13-2-4-14(19)5-3-13/h1-2,4-5,11,15H,3,6-10H2,(H,21,23);2-7,9-10,16,22H,1,8,11H2;2-5,14H,6-11H2,1H3;2-5,15,20H,1,6-11H2.
What are the key properties of 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine?
8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine has a molecular weight of 1480.58 g/mol, XLogP of 16.03, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-4-methylidene-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepine;4-[8-(4-chlorophenyl)-4-methylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-2-yl]morpholine;8-(4-chlorophenyl)-5-methyl-2-morpholin-4-yl-7,8-dihydro-6H-[1,3]thiazolo[5,4-c]azepin-4-one;4-[9-(4-chlorophenyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]morpholine is sourced from PubChem (CID 158507560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).