5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C8H12N2OS — CID 110847845

IUPAC5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)NC(C)C
InChIInChI=1S/C8H12N2OS/c1-5(2)10-8(11)7-6(3)12-4-9-7/h4-5H,1-3H3,(H,10,11)
InChIKeyIZTLJGGFCIZRNW-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110847845) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110847845
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)NC(C)C
InChIInChI=1S/C8H12N2OS/c1-5(2)10-8(11)7-6(3)12-4-9-7/h4-5H,1-3H3,(H,10,11)
InChIKeyIZTLJGGFCIZRNW-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214967
2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 110835384
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110857431
N-[2-(dimethylamino)ethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110849548
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 121320986

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 110847845) is 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)NC(C)C.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IZTLJGGFCIZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)10-8(11)7-6(3)12-4-9-7/h4-5H,1-3H3,(H,10,11).
What are the key properties of 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 184.26 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 5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110847845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).