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

C13H15N3O3S2 — CID 71467629

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1csc(-c2cccs2)n1)NO
InChIInChI=1S/C13H15N3O3S2/c17-11(16-19)5-1-2-6-14-12(18)9-8-21-13(15-9)10-4-3-7-20-10/h3-4,7-8,19H,1-2,5-6H2,(H,14,18)(H,16,17)
InChIKeyQFWNBURRPHCHGZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.28
Rot. Bonds7

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

N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71467629) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71467629
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1csc(-c2cccs2)n1)NO
InChIInChI=1S/C13H15N3O3S2/c17-11(16-19)5-1-2-6-14-12(18)9-8-21-13(15-9)10-4-3-7-20-10/h3-4,7-8,19H,1-2,5-6H2,(H,14,18)(H,16,17)
InChIKeyQFWNBURRPHCHGZ-UHFFFAOYSA-N
XLogP2.28
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71467629) is N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1csc(-c2cccs2)n1)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QFWNBURRPHCHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-11(16-19)5-1-2-6-14-12(18)9-8-21-13(15-9)10-4-3-7-20-10/h3-4,7-8,19H,1-2,5-6H2,(H,14,18)(H,16,17).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71467629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).