6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide

C14H18N6O3S — CID 162668898

IUPAC6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
SMILESO=C(CCCCCn1cc(C2CC2)nn1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H18N6O3S/c21-12(16-14-15-8-13(24-14)20(22)23)4-2-1-3-7-19-9-11(17-18-19)10-5-6-10/h8-10H,1-7H2,(H,15,16,21)
InChIKeyOHMAOGZRPJDSIJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.72
Rot. Bonds9

About 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide

6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide (PubChem CID 162668898) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
PubChem CID162668898
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
SMILESO=C(CCCCCn1cc(C2CC2)nn1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H18N6O3S/c21-12(16-14-15-8-13(24-14)20(22)23)4-2-1-3-7-19-9-11(17-18-19)10-5-6-10/h8-10H,1-7H2,(H,15,16,21)
InChIKeyOHMAOGZRPJDSIJ-UHFFFAOYSA-N
XLogP2.72
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 593328
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108
tributylstannyl 4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutanoate
CID 139239847
tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293
N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide
CID 175100933
N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
CID 15741049
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 95402272
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide (CID 162668898) is 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide is O=C(CCCCCn1cc(C2CC2)nn1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The InChIKey is OHMAOGZRPJDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c21-12(16-14-15-8-13(24-14)20(22)23)4-2-1-3-7-19-9-11(17-18-19)10-5-6-10/h8-10H,1-7H2,(H,15,16,21).
What are the key properties of 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide has a molecular weight of 350.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 162668898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).