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

C11H12N4O3S — CID 73333213

IUPACN-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCn1cccc1C(=O)NCc1ncc(C(=O)NO)s1
InChIInChI=1S/C11H12N4O3S/c1-15-4-2-3-7(15)10(16)13-6-9-12-5-8(19-9)11(17)14-18/h2-5,18H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyKYAAPEKSLXSDRR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.53
Rot. Bonds4

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

N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 73333213) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
PubChem CID73333213
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCn1cccc1C(=O)NCc1ncc(C(=O)NO)s1
InChIInChI=1S/C11H12N4O3S/c1-15-4-2-3-7(15)10(16)13-6-9-12-5-8(19-9)11(17)14-18/h2-5,18H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyKYAAPEKSLXSDRR-UHFFFAOYSA-N
XLogP0.53
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.53
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-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide (CID 73333213) is N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide is Cn1cccc1C(=O)NCc1ncc(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KYAAPEKSLXSDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-15-4-2-3-7(15)10(16)13-6-9-12-5-8(19-9)11(17)14-18/h2-5,18H,6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 0.53, 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-methylpyrrole-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 73333213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).