4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid

C11H12N4O3S — CID 114127126

IUPAC4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCC(CNC(=O)c1nc[nH]c1C(=O)O)c1nccs1
InChIInChI=1S/C11H12N4O3S/c1-6(10-12-2-3-19-10)4-13-9(16)7-8(11(17)18)15-5-14-7/h2-3,5-6H,4H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDUFKFHSVTJYKHR-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.10
Rot. Bonds5

About 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid

4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 114127126) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID114127126
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCC(CNC(=O)c1nc[nH]c1C(=O)O)c1nccs1
InChIInChI=1S/C11H12N4O3S/c1-6(10-12-2-3-19-10)4-13-9(16)7-8(11(17)18)15-5-14-7/h2-3,5-6H,4H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDUFKFHSVTJYKHR-UHFFFAOYSA-N
XLogP1.10
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104578827
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 100623674
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 114129314

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid (CID 114127126) is 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid is CC(CNC(=O)c1nc[nH]c1C(=O)O)c1nccs1.
What is the InChIKey of 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is DUFKFHSVTJYKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6(10-12-2-3-19-10)4-13-9(16)7-8(11(17)18)15-5-14-7/h2-3,5-6H,4H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid?
4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 114127126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).