N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide

C12H14N4O3S2 — CID 71468927

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1csc(-c2cscn2)n1)NO
InChIInChI=1S/C12H14N4O3S2/c17-10(16-19)3-1-2-4-13-11(18)8-6-21-12(15-8)9-5-20-7-14-9/h5-7,19H,1-4H2,(H,13,18)(H,16,17)
InChIKeyWZTICOBESMFADK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds7

About N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468927) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468927
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1csc(-c2cscn2)n1)NO
InChIInChI=1S/C12H14N4O3S2/c17-10(16-19)3-1-2-4-13-11(18)8-6-21-12(15-8)9-5-20-7-14-9/h5-7,19H,1-4H2,(H,13,18)(H,16,17)
InChIKeyWZTICOBESMFADK-UHFFFAOYSA-N
XLogP1.67
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71468927) is N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1csc(-c2cscn2)n1)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WZTICOBESMFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c17-10(16-19)3-1-2-4-13-11(18)8-6-21-12(15-8)9-5-20-7-14-9/h5-7,19H,1-4H2,(H,13,18)(H,16,17).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).