2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C17H20ClN3O3S — CID 166635755

IUPAC2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)s1)NO
InChIInChI=1S/C17H20ClN3O3S/c18-13-8-6-12(7-9-13)17-20-11-14(25-17)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyWMYLJTJCOVULBR-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.65
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 166635755) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID166635755
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)s1)NO
InChIInChI=1S/C17H20ClN3O3S/c18-13-8-6-12(7-9-13)17-20-11-14(25-17)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyWMYLJTJCOVULBR-UHFFFAOYSA-N
XLogP3.65
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 166635755) is 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)s1)NO.
What is the InChIKey of 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WMYLJTJCOVULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c18-13-8-6-12(7-9-13)17-20-11-14(25-17)16(23)19-10-4-2-1-3-5-15(22)21-24/h6-9,11,24H,1-5,10H2,(H,19,23)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166635755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).