N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H19N5OS — CID 79352481

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)11-6-21-13(18-11)19-12(20)9-4-8-10(5-15-9)17-7-16-8/h6-7,9,15H,4-5H2,1-3H3,(H,16,17)(H,18,19,20)
InChIKeyGJLIDBLPHVFNQG-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.82
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352481) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352481
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)11-6-21-13(18-11)19-12(20)9-4-8-10(5-15-9)17-7-16-8/h6-7,9,15H,4-5H2,1-3H3,(H,16,17)(H,18,19,20)
InChIKeyGJLIDBLPHVFNQG-UHFFFAOYSA-N
XLogP1.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352481) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CC(C)(C)c1csc(NC(=O)C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is GJLIDBLPHVFNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)11-6-21-13(18-11)19-12(20)9-4-8-10(5-15-9)17-7-16-8/h6-7,9,15H,4-5H2,1-3H3,(H,16,17)(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).