4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid

C8H10N2O3S — CID 117214967

IUPAC4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)NC(=O)c1ncsc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-4(2)10-7(11)5-6(8(12)13)14-3-9-5/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeySONGXQGNBZAAPM-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.98
Rot. Bonds3

About 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid

4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 117214967) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
PubChem CID117214967
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)NC(=O)c1ncsc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-4(2)10-7(11)5-6(8(12)13)14-3-9-5/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeySONGXQGNBZAAPM-UHFFFAOYSA-N
XLogP0.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214964
4-methoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 117214962
4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 13015604
2-chloro-4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 141213623
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 130609381
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 110835384

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid (CID 117214967) is 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid is CC(C)NC(=O)c1ncsc1C(=O)O.
What is the InChIKey of 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SONGXQGNBZAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4(2)10-7(11)5-6(8(12)13)14-3-9-5/h3-4H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117214967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).