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

C16H20N4O3S2 — CID 71468526

IUPAC5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)n1
InChIInChI=1S/C16H20N4O3S2/c1-9-8-24-15(18-9)16-19-12(13(25-16)10-5-6-10)14(22)17-7-3-2-4-11(21)20-23/h8,10,23H,2-7H2,1H3,(H,17,22)(H,20,21)
InChIKeyXBZQADSWPXBGTG-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.86
Rot. Bonds8

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

5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468526) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468526
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)n1
InChIInChI=1S/C16H20N4O3S2/c1-9-8-24-15(18-9)16-19-12(13(25-16)10-5-6-10)14(22)17-7-3-2-4-11(21)20-23/h8,10,23H,2-7H2,1H3,(H,17,22)(H,20,21)
InChIKeyXBZQADSWPXBGTG-UHFFFAOYSA-N
XLogP2.86
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.86
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-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468526) is 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1csc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)n1.
What is the InChIKey of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XBZQADSWPXBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-9-8-24-15(18-9)16-19-12(13(25-16)10-5-6-10)14(22)17-7-3-2-4-11(21)20-23/h8,10,23H,2-7H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).