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

C15H16N2OS — CID 4670180

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C15H16N2OS/c1-9-3-4-10(2)12(7-9)13-8-19-15(16-13)17-14(18)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyUWXHCNZNOIKVGM-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.78
Rot. Bonds3

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

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 4670180) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID4670180
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C15H16N2OS/c1-9-3-4-10(2)12(7-9)13-8-19-15(16-13)17-14(18)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyUWXHCNZNOIKVGM-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17488056
(1S,2S,3R,4S)-3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18390510
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 4670180) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1ccc(C)c(-c2csc(NC(=O)C3CC3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is UWXHCNZNOIKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-3-4-10(2)12(7-9)13-8-19-15(16-13)17-14(18)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 4670180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).