4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole

C18H16ClNOS2 — CID 89429298

IUPAC4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(SCc2nc(-c3ccccc3Cl)cs2)cc1C
InChIInChI=1S/C18H16ClNOS2/c1-12-9-13(7-8-17(12)21-2)22-11-18-20-16(10-23-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3
InChIKeyUEVYMQQCEOQXHI-UHFFFAOYSA-N
MW361.92 g/mol
LogP6.07
Rot. Bonds5

About 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole

4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 89429298) has the molecular formula C18H16ClNOS2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID89429298
Molecular FormulaC18H16ClNOS2
Molecular Weight361.92 g/mol
Exact Mass361.04
IUPAC Name4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(SCc2nc(-c3ccccc3Cl)cs2)cc1C
InChIInChI=1S/C18H16ClNOS2/c1-12-9-13(7-8-17(12)21-2)22-11-18-20-16(10-23-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3
InChIKeyUEVYMQQCEOQXHI-UHFFFAOYSA-N
XLogP6.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66066798
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965970
N-[3-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18899438
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62666679
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291
2-(2,3-dimethoxyphenyl)-4-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazole
CID 7403150

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole (CID 89429298) is 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole is COc1ccc(SCc2nc(-c3ccccc3Cl)cs2)cc1C.
What is the InChIKey of 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is UEVYMQQCEOQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS2/c1-12-9-13(7-8-17(12)21-2)22-11-18-20-16(10-23-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole?
4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 361.92 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 89429298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).