2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide

C15H21N3S — CID 82030227

IUPAC2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1ccn2c(C(C)C(N)=S)c(C(C)(C)C)nc2c1
InChIInChI=1S/C15H21N3S/c1-9-6-7-18-11(8-9)17-13(15(3,4)5)12(18)10(2)14(16)19/h6-8,10H,1-5H3,(H2,16,19)
InChIKeyZNWUWJOXULXWFN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.33
Rot. Bonds2

About 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide

2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide (PubChem CID 82030227) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide.

Molecular Properties

Compound Name2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
PubChem CID82030227
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1ccn2c(C(C)C(N)=S)c(C(C)(C)C)nc2c1
InChIInChI=1S/C15H21N3S/c1-9-6-7-18-11(8-9)17-13(15(3,4)5)12(18)10(2)14(16)19/h6-8,10H,1-5H3,(H2,16,19)
InChIKeyZNWUWJOXULXWFN-UHFFFAOYSA-N
XLogP3.33
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide 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-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029631
2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
CID 10543240
2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030222
(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82029708
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 39146035
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2,2,2-trifluoroethanamine
CID 82029238
1-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82029316
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83841113
1-[7-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223155
2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030163
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
cyclopropyl-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82029229

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The IUPAC name of 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide (CID 82030227) is 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide.
What is the SMILES notation for 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The canonical SMILES for 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide is Cc1ccn2c(C(C)C(N)=S)c(C(C)(C)C)nc2c1.
What is the InChIKey of 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The InChIKey is ZNWUWJOXULXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-9-6-7-18-11(8-9)17-13(15(3,4)5)12(18)10(2)14(16)19/h6-8,10H,1-5H3,(H2,16,19).
What are the key properties of 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide has a molecular weight of 275.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide is sourced from PubChem (CID 82030227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).