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

C11H13N5OS — CID 79353879

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cnc(NC(=O)C2Cc3nc[nH]c3CN2)s1
InChIInChI=1S/C11H13N5OS/c1-6-3-13-11(18-6)16-10(17)8-2-7-9(4-12-8)15-5-14-7/h3,5,8,12H,2,4H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyLVVDXQPCYLNOAQ-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.83
Rot. Bonds2

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

N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353879) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353879
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cnc(NC(=O)C2Cc3nc[nH]c3CN2)s1
InChIInChI=1S/C11H13N5OS/c1-6-3-13-11(18-6)16-10(17)8-2-7-9(4-12-8)15-5-14-7/h3,5,8,12H,2,4H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyLVVDXQPCYLNOAQ-UHFFFAOYSA-N
XLogP0.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353879) is N-(5-methyl-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-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is Cc1cnc(NC(=O)C2Cc3nc[nH]c3CN2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is LVVDXQPCYLNOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-6-3-13-11(18-6)16-10(17)8-2-7-9(4-12-8)15-5-14-7/h3,5,8,12H,2,4H2,1H3,(H,14,15)(H,13,16,17).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).