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

C13H17N5OS — CID 79354273

IUPACN-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCC(NC(=O)C1Cc2nc[nH]c2CN1)c1nccs1
InChIInChI=1S/C13H17N5OS/c1-2-8(13-14-3-4-20-13)18-12(19)10-5-9-11(6-15-10)17-7-16-9/h3-4,7-8,10,15H,2,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyQIZKXTUDXPKZGS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.15
Rot. Bonds4

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

N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354273) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354273
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCC(NC(=O)C1Cc2nc[nH]c2CN1)c1nccs1
InChIInChI=1S/C13H17N5OS/c1-2-8(13-14-3-4-20-13)18-12(19)10-5-9-11(6-15-10)17-7-16-9/h3-4,7-8,10,15H,2,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyQIZKXTUDXPKZGS-UHFFFAOYSA-N
XLogP1.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354273) is N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCC(NC(=O)C1Cc2nc[nH]c2CN1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is QIZKXTUDXPKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-8(13-14-3-4-20-13)18-12(19)10-5-9-11(6-15-10)17-7-16-9/h3-4,7-8,10,15H,2,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).