5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide

C24H29N3O3S2 — CID 145359464

IUPAC5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
SMILESCOc1ccc(NS(=O)c2cc(-c3sc(NC4CCCCC4)nc3C)ccc2OC)cc1
InChIInChI=1S/C24H29N3O3S2/c1-16-23(31-24(25-16)26-18-7-5-4-6-8-18)17-9-14-21(30-3)22(15-17)32(28)27-19-10-12-20(29-2)13-11-19/h9-15,18,27H,4-8H2,1-3H3,(H,25,26)
InChIKeyAFMNODYXBQRBKL-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.02
Rot. Bonds8

About 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide (PubChem CID 145359464) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
PubChem CID145359464
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
SMILESCOc1ccc(NS(=O)c2cc(-c3sc(NC4CCCCC4)nc3C)ccc2OC)cc1
InChIInChI=1S/C24H29N3O3S2/c1-16-23(31-24(25-16)26-18-7-5-4-6-8-18)17-9-14-21(30-3)22(15-17)32(28)27-19-10-12-20(29-2)13-11-19/h9-15,18,27H,4-8H2,1-3H3,(H,25,26)
InChIKeyAFMNODYXBQRBKL-UHFFFAOYSA-N
XLogP6.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide
CID 145359450
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide
CID 145359600
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-2-methylbenzenesulfinamide
CID 145359581
5-[2-(2-cyclohexylpropylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2-methoxybenzenesulfinamide
CID 154644816
N-(6-chloro-5-methyl-3-pyridinyl)-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfinamide
CID 145359554
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 89493911
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide
CID 154644805
5-[2-(2-cyclohexylethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfinamide
CID 154644813
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 89493822
ethyl 4-[[2-methoxy-5-[4-methyl-2-[[2-(oxan-4-yl)acetyl]amino]-1,3-thiazol-5-yl]phenyl]sulfinylamino]benzoate
CID 145359430
N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8850714
N-(2,6-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
CID 145359530

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide?
The IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide (CID 145359464) is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide.
What is the SMILES notation for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide?
The canonical SMILES for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide is COc1ccc(NS(=O)c2cc(-c3sc(NC4CCCCC4)nc3C)ccc2OC)cc1.
What is the InChIKey of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide?
The InChIKey is AFMNODYXBQRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-16-23(31-24(25-16)26-18-7-5-4-6-8-18)17-9-14-21(30-3)22(15-17)32(28)27-19-10-12-20(29-2)13-11-19/h9-15,18,27H,4-8H2,1-3H3,(H,25,26).
What are the key properties of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide?
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide has a molecular weight of 471.65 g/mol, XLogP of 6.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide is sourced from PubChem (CID 145359464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).