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

C18H18N4O3S2 — CID 71468164

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1)NO
InChIInChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)
InChIKeyLOSDIZSZRWZVJP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.34
Rot. Bonds8

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

N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468164) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468164
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1)NO
InChIInChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)
InChIKeyLOSDIZSZRWZVJP-UHFFFAOYSA-N
XLogP3.34
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.34
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-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468164) is N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LOSDIZSZRWZVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.34, 8 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-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).