2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

C14H13N3OS — CID 3324498

IUPAC2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CC#N)n2)c1
InChIInChI=1S/C14H13N3OS/c1-9-3-4-10(2)11(7-9)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5H2,1-2H3,(H,16,17,18)
InChIKeyDFLIYVZMECVMIK-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.28
Rot. Bonds3

About 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3324498) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3324498
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CC#N)n2)c1
InChIInChI=1S/C14H13N3OS/c1-9-3-4-10(2)11(7-9)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5H2,1-2H3,(H,16,17,18)
InChIKeyDFLIYVZMECVMIK-UHFFFAOYSA-N
XLogP3.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 3324498) is 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(-c2csc(NC(=O)CC#N)n2)c1.
What is the InChIKey of 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DFLIYVZMECVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-3-4-10(2)11(7-9)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3324498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).