N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide

C19H24N6O3S — CID 72547076

IUPACN-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)CCN(C(=O)c1ccno1)c1ncc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C19H24N6O3S/c1-14(2)5-10-25(18(27)15-4-7-23-28-15)19-22-12-16(29-19)17(26)21-6-3-9-24-11-8-20-13-24/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,21,26)
InChIKeyBKBKGFXNMWTKGX-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.84
Rot. Bonds10

About N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide

N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide (PubChem CID 72547076) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide
PubChem CID72547076
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)CCN(C(=O)c1ccno1)c1ncc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C19H24N6O3S/c1-14(2)5-10-25(18(27)15-4-7-23-28-15)19-22-12-16(29-19)17(26)21-6-3-9-24-11-8-20-13-24/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,21,26)
InChIKeyBKBKGFXNMWTKGX-UHFFFAOYSA-N
XLogP2.84
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide 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

2-[cyclopropanecarbonyl(3-methylbutyl)amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 90013024
2-[(4-fluorophenyl)methyl-methylamino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72545366
N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 90012972
N-[(4-fluorophenyl)methyl]-N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 72544455
2-[[2-(3,6-dihydro-2H-pyridin-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72546332
2-[2-(1,3-benzodioxol-5-yl)ethyl-(3-methoxypropanoyl)amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 90013452
2-[(2,5-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72546097
2-[(4-fluorophenyl)methyl-[2-(4-prop-2-enylpiperazin-1-yl)acetyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 86763841
N-(3-imidazol-1-ylpropyl)-2-[3-methoxypropanoyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]-1,3-thiazole-5-carboxamide
CID 90012882
2-[[1-(4-fluorophenyl)-4-morpholin-4-ylbutan-2-yl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72545612
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide (CID 72547076) is N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide is CC(C)CCN(C(=O)c1ccno1)c1ncc(C(=O)NCCCn2ccnc2)s1.
What is the InChIKey of N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide?
The InChIKey is BKBKGFXNMWTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-14(2)5-10-25(18(27)15-4-7-23-28-15)19-22-12-16(29-19)17(26)21-6-3-9-24-11-8-20-13-24/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,21,26).
What are the key properties of N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide?
N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 72547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).