N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

C17H15N5O3S — CID 43070358

IUPACN-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cs1
InChIInChI=1S/C17H15N5O3S/c1-11(23)18-17-19-13(10-26-17)16(25)21-20-15(24)12-6-2-3-7-14(12)22-8-4-5-9-22/h2-10H,1H3,(H,20,24)(H,21,25)(H,18,19,23)
InChIKeyXRHICVJBLABJGV-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.97
Rot. Bonds4

About N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43070358) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43070358
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cs1
InChIInChI=1S/C17H15N5O3S/c1-11(23)18-17-19-13(10-26-17)16(25)21-20-15(24)12-6-2-3-7-14(12)22-8-4-5-9-22/h2-10H,1H3,(H,20,24)(H,21,25)(H,18,19,23)
InChIKeyXRHICVJBLABJGV-UHFFFAOYSA-N
XLogP1.97
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 166005650
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
N-[4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070192
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1,3-thiazole-4-carboxamide
CID 97058404

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 43070358) is N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cs1.
What is the InChIKey of N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XRHICVJBLABJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-11(23)18-17-19-13(10-26-17)16(25)21-20-15(24)12-6-2-3-7-14(12)22-8-4-5-9-22/h2-10H,1H3,(H,20,24)(H,21,25)(H,18,19,23).
What are the key properties of N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43070358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).