N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C12H14N4O3S — CID 58418158

IUPACN-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cccn1C)c1ncc(C(=O)NO)s1
InChIInChI=1S/C12H14N4O3S/c1-7(12-13-6-9(20-12)11(18)15-19)14-10(17)8-4-3-5-16(8)2/h3-7,19H,1-2H3,(H,14,17)(H,15,18)
InChIKeyCVQVXLWYBVIRDY-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.09
Rot. Bonds4

About N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 58418158) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID58418158
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cccn1C)c1ncc(C(=O)NO)s1
InChIInChI=1S/C12H14N4O3S/c1-7(12-13-6-9(20-12)11(18)15-19)14-10(17)8-4-3-5-16(8)2/h3-7,19H,1-2H3,(H,14,17)(H,15,18)
InChIKeyCVQVXLWYBVIRDY-UHFFFAOYSA-N
XLogP1.09
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 58418158) is N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cccn1C)c1ncc(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CVQVXLWYBVIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(12-13-6-9(20-12)11(18)15-19)14-10(17)8-4-3-5-16(8)2/h3-7,19H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58418158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).