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

C13H16N4O3S2 — CID 71467959

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO
InChIInChI=1S/C13H16N4O3S2/c1-8-10(16-13(22-8)12-15-6-7-21-12)11(19)14-5-3-2-4-9(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)
InChIKeyBPQLDBJBCNRUFX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.98
Rot. Bonds7

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

N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71467959) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71467959
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO
InChIInChI=1S/C13H16N4O3S2/c1-8-10(16-13(22-8)12-15-6-7-21-12)11(19)14-5-3-2-4-9(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)
InChIKeyBPQLDBJBCNRUFX-UHFFFAOYSA-N
XLogP1.98
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.98
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71467959) is N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BPQLDBJBCNRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8-10(16-13(22-8)12-15-6-7-21-12)11(19)14-5-3-2-4-9(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.98, 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]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71467959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).