2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C11H11N3O3S — CID 66374402

IUPAC2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1ccc[nH]1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H11N3O3S/c1-6(10-14-8(5-18-10)11(16)17)13-9(15)7-3-2-4-12-7/h2-6,12H,1H3,(H,13,15)(H,16,17)
InChIKeyHAMMWDWULNGYJY-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374402) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374402
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1ccc[nH]1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H11N3O3S/c1-6(10-14-8(5-18-10)11(16)17)13-9(15)7-3-2-4-12-7/h2-6,12H,1H3,(H,13,15)(H,16,17)
InChIKeyHAMMWDWULNGYJY-UHFFFAOYSA-N
XLogP1.66
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-nitro-1H-pyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379229
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380210
N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 154840021
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374400
2-[1-[(2-chloro-3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 81453332
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[1-[(2-fluoro-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 81480664
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378842
2-[2-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374654
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374402) is 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)c1ccc[nH]1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HAMMWDWULNGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6(10-14-8(5-18-10)11(16)17)13-9(15)7-3-2-4-12-7/h2-6,12H,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).