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

C17H22N4O3S2 — CID 71468528

IUPAC5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)sc1C
InChIInChI=1S/C17H22N4O3S2/c1-9-10(2)25-16(19-9)17-20-13(14(26-17)11-6-7-11)15(23)18-8-4-3-5-12(22)21-24/h11,24H,3-8H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyJXKBYDZRTXOBNH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.17
Rot. Bonds8

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

5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide (PubChem CID 71468528) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
PubChem CID71468528
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)sc1C
InChIInChI=1S/C17H22N4O3S2/c1-9-10(2)25-16(19-9)17-20-13(14(26-17)11-6-7-11)15(23)18-8-4-3-5-12(22)21-24/h11,24H,3-8H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyJXKBYDZRTXOBNH-UHFFFAOYSA-N
XLogP3.17
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.17
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-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide (CID 71468528) is 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide is Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)sc1C.
What is the InChIKey of 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JXKBYDZRTXOBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-9-10(2)25-16(19-9)17-20-13(14(26-17)11-6-7-11)15(23)18-8-4-3-5-12(22)21-24/h11,24H,3-8H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).