2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C16H14ClN3OS3 — CID 3223886

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)sc1C
InChIInChI=1S/C16H14ClN3OS3/c1-9-10(2)24-15(18-9)20-14(21)8-23-16-19-13(7-22-16)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20,21)
InChIKeyOWCBGJSNUVHNSH-UHFFFAOYSA-N
MW395.96 g/mol
LogP5.27
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3223886) has the molecular formula C16H14ClN3OS3 and a molecular weight of 395.96 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID3223886
Molecular FormulaC16H14ClN3OS3
Molecular Weight395.96 g/mol
Exact Mass395.00
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)sc1C
InChIInChI=1S/C16H14ClN3OS3/c1-9-10(2)24-15(18-9)20-14(21)8-23-16-19-13(7-22-16)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20,21)
InChIKeyOWCBGJSNUVHNSH-UHFFFAOYSA-N
XLogP5.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602168
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3251922
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4006854
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19715655
N-(2-benzoylphenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4256954
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3911025
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]acetamide
CID 53295367

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 3223886) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)sc1C.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OWCBGJSNUVHNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS3/c1-9-10(2)24-15(18-9)20-14(21)8-23-16-19-13(7-22-16)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20,21).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.96 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3223886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).