3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C21H29N5OS — CID 110426483

IUPAC3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2nc(C(C)(C)C)n3ccccc23)n1
InChIInChI=1S/C21H29N5OS/c1-6-25(7-2)13-15-14-28-17(23-15)12-22-19(27)18-16-10-8-9-11-26(16)20(24-18)21(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyZFAVDFYBWVNOSE-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.86
Rot. Bonds7

About 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110426483) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110426483
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC Name3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2nc(C(C)(C)C)n3ccccc23)n1
InChIInChI=1S/C21H29N5OS/c1-6-25(7-2)13-15-14-28-17(23-15)12-22-19(27)18-16-10-8-9-11-26(16)20(24-18)21(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyZFAVDFYBWVNOSE-UHFFFAOYSA-N
XLogP3.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110359602
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110426483) is 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is CCN(CC)Cc1csc(CNC(=O)c2nc(C(C)(C)C)n3ccccc23)n1.
What is the InChIKey of 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZFAVDFYBWVNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-6-25(7-2)13-15-14-28-17(23-15)12-22-19(27)18-16-10-8-9-11-26(16)20(24-18)21(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,27).
What are the key properties of 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110426483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).