2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide

C18H27N5O2S — CID 55858592

IUPAC2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)NCCCn2nc3n(c2=O)CCCC3)s1
InChIInChI=1S/C18H27N5O2S/c1-3-4-9-15-20-13(2)16(26-15)17(24)19-10-7-12-23-18(25)22-11-6-5-8-14(22)21-23/h3-12H2,1-2H3,(H,19,24)
InChIKeyQOSBYLFDIICCAJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.31
Rot. Bonds8

About 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide

2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 55858592) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID55858592
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)NCCCn2nc3n(c2=O)CCCC3)s1
InChIInChI=1S/C18H27N5O2S/c1-3-4-9-15-20-13(2)16(26-15)17(24)19-10-7-12-23-18(25)22-11-6-5-8-14(22)21-23/h3-12H2,1-2H3,(H,19,24)
InChIKeyQOSBYLFDIICCAJ-UHFFFAOYSA-N
XLogP2.31
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-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

1-butyl-2-methyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111150786
2-[3-(propylamino)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55155537
2,6-dimethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]quinoline-3-carboxamide
CID 55867665
4-(diethylaminomethyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55858210
1-butyl-1,2-dimethyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111159169
3-(4-methoxyphenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55766711
2-[4-(methylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936827
4-acetyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 96559228
1-(2-ethyl-6-methylphenyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 55809347
3-(methanesulfonamido)-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55858336
4-[4-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoyl]phenoxy]benzamide
CID 56548941
1-heptan-2-yl-2-methyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111195884

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide (CID 55858592) is 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)NCCCn2nc3n(c2=O)CCCC3)s1.
What is the InChIKey of 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QOSBYLFDIICCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-3-4-9-15-20-13(2)16(26-15)17(24)19-10-7-12-23-18(25)22-11-6-5-8-14(22)21-23/h3-12H2,1-2H3,(H,19,24).
What are the key properties of 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide?
2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55858592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).