2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C18H13Cl2NOS2 — CID 3798863

IUPAC2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1cccc(Cl)c1Cl
InChIInChI=1S/C18H13Cl2NOS2/c1-11-17(24-18(21-11)12-6-3-2-4-7-12)14(22)10-23-15-9-5-8-13(19)16(15)20/h2-9H,10H2,1H3
InChIKeyWWGNDHWHMHXOHF-UHFFFAOYSA-N
MW394.35 g/mol
LogP6.40
Rot. Bonds5

About 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 3798863) has the molecular formula C18H13Cl2NOS2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID3798863
Molecular FormulaC18H13Cl2NOS2
Molecular Weight394.35 g/mol
Exact Mass392.98
IUPAC Name2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1cccc(Cl)c1Cl
InChIInChI=1S/C18H13Cl2NOS2/c1-11-17(24-18(21-11)12-6-3-2-4-7-12)14(22)10-23-15-9-5-8-13(19)16(15)20/h2-9H,10H2,1H3
InChIKeyWWGNDHWHMHXOHF-UHFFFAOYSA-N
XLogP6.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 1477677
4-(3,4-dichlorophenyl)-2-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 162652094
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721283
2-(2-bromo-4-chlorophenoxy)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 1477685
2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721164
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 3798863) is 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccc2)sc1C(=O)CSc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is WWGNDHWHMHXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NOS2/c1-11-17(24-18(21-11)12-6-3-2-4-7-12)14(22)10-23-15-9-5-8-13(19)16(15)20/h2-9H,10H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 394.35 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 3798863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).