N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide

C5H6N2O2S — CID 45084520

IUPACN-hydroxy-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NO)s1
InChIInChI=1S/C5H6N2O2S/c1-3-6-2-4(10-3)5(8)7-9/h2,9H,1H3,(H,7,8)
InChIKeyQIUXLDMKKXQEQW-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.57
Rot. Bonds1

About N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide

N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 45084520) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID45084520
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC NameN-hydroxy-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NO)s1
InChIInChI=1S/C5H6N2O2S/c1-3-6-2-4(10-3)5(8)7-9/h2,9H,1H3,(H,7,8)
InChIKeyQIUXLDMKKXQEQW-UHFFFAOYSA-N
XLogP0.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide (CID 45084520) is N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NO)s1.
What is the InChIKey of N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QIUXLDMKKXQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-3-6-2-4(10-3)5(8)7-9/h2,9H,1H3,(H,7,8).
What are the key properties of N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide?
N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 158.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45084520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).