N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C16H10ClN3OS2 — CID 26659353

IUPACN-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl
InChIInChI=1S/C16H10ClN3OS2/c17-13-6-11(4-3-10(13)8-18)19-15(21)7-12-9-23-16(20-12)14-2-1-5-22-14/h1-6,9H,7H2,(H,19,21)
InChIKeyIPXPJTOZSNLCOW-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.58
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 26659353) has the molecular formula C16H10ClN3OS2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID26659353
Molecular FormulaC16H10ClN3OS2
Molecular Weight359.86 g/mol
Exact Mass359.00
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl
InChIInChI=1S/C16H10ClN3OS2/c17-13-6-11(4-3-10(13)8-18)19-15(21)7-12-9-23-16(20-12)14-2-1-5-22-14/h1-6,9H,7H2,(H,19,21)
InChIKeyIPXPJTOZSNLCOW-UHFFFAOYSA-N
XLogP4.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 38237310
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
N-dibenzofuran-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18226286
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(3-sulfamoylphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 34751638
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 36678786
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383
N-(6-methoxy-3-pyridinyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197968
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-(1,3,4-thiadiazol-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 29370112
2-methyl-2-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696800

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 26659353) is N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is N#Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IPXPJTOZSNLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS2/c17-13-6-11(4-3-10(13)8-18)19-15(21)7-12-9-23-16(20-12)14-2-1-5-22-14/h1-6,9H,7H2,(H,19,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 26659353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).