4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide

C9H12N2OS — CID 130611628

IUPAC4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CC2C)n1
InChIInChI=1S/C9H12N2OS/c1-5-3-7(5)11-8(12)9-10-6(2)4-13-9/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeySXHWRBGBBSEODE-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.59
Rot. Bonds2

About 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide

4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide (PubChem CID 130611628) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide
PubChem CID130611628
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CC2C)n1
InChIInChI=1S/C9H12N2OS/c1-5-3-7(5)11-8(12)9-10-6(2)4-13-9/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeySXHWRBGBBSEODE-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide (CID 130611628) is 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC2CC2C)n1.
What is the InChIKey of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is SXHWRBGBBSEODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-5-3-7(5)11-8(12)9-10-6(2)4-13-9/h4-5,7H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130611628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).