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

C18H17ClN4O3S2 — CID 71468274

IUPAC5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1Cl)NO
InChIInChI=1S/C18H17ClN4O3S2/c19-12-6-2-1-5-11(12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-4-3-7-13(24)23-26/h1-2,5-6,9-10,26H,3-4,7-8H2,(H,20,25)(H,23,24)
InChIKeyKRLBCZQLXZBKEL-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.99
Rot. Bonds8

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

5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468274) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468274
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC Name5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1Cl)NO
InChIInChI=1S/C18H17ClN4O3S2/c19-12-6-2-1-5-11(12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-4-3-7-13(24)23-26/h1-2,5-6,9-10,26H,3-4,7-8H2,(H,20,25)(H,23,24)
InChIKeyKRLBCZQLXZBKEL-UHFFFAOYSA-N
XLogP3.99
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.99
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 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468274) is 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1Cl)NO.
What is the InChIKey of 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KRLBCZQLXZBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c19-12-6-2-1-5-11(12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-4-3-7-13(24)23-26/h1-2,5-6,9-10,26H,3-4,7-8H2,(H,20,25)(H,23,24).
What are the key properties of 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).