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

C16H20N4O3S2 — CID 90644927

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)=Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO
InChIInChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyYFPIGRVZHDCNID-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.10
Rot. Bonds8

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

N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 90644927) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID90644927
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)=Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO
InChIInChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyYFPIGRVZHDCNID-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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 N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 90644927) is N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)=Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YFPIGRVZHDCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylprop-1-enyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90644927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).