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

C17H22N4O3S — CID 53323223

IUPAC4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide
SMILESNc1cccc(-c2csc(C(=O)NCCCCCCC(=O)NO)n2)c1
InChIInChI=1S/C17H22N4O3S/c18-13-7-5-6-12(10-13)14-11-25-17(20-14)16(23)19-9-4-2-1-3-8-15(22)21-24/h5-7,10-11,24H,1-4,8-9,18H2,(H,19,23)(H,21,22)
InChIKeyDLBVPPWSZMUBHY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.58
Rot. Bonds9

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

4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide (PubChem CID 53323223) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide
PubChem CID53323223
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide
SMILESNc1cccc(-c2csc(C(=O)NCCCCCCC(=O)NO)n2)c1
InChIInChI=1S/C17H22N4O3S/c18-13-7-5-6-12(10-13)14-11-25-17(20-14)16(23)19-9-4-2-1-3-8-15(22)21-24/h5-7,10-11,24H,1-4,8-9,18H2,(H,19,23)(H,21,22)
InChIKeyDLBVPPWSZMUBHY-UHFFFAOYSA-N
XLogP2.58
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide (CID 53323223) is 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide is Nc1cccc(-c2csc(C(=O)NCCCCCCC(=O)NO)n2)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?
The InChIKey is DLBVPPWSZMUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-13-7-5-6-12(10-13)14-11-25-17(20-14)16(23)19-9-4-2-1-3-8-15(22)21-24/h5-7,10-11,24H,1-4,8-9,18H2,(H,19,23)(H,21,22).
What are the key properties of 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?
4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53323223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).