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

C12H18N4OS — CID 79353886

IUPACN-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C(=O)C1Cc2nc[nH]c2CN1)C1CCSC1
InChIInChI=1S/C12H18N4OS/c1-16(8-2-3-18-6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKeyZYSCLEHIZBPECD-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.39
Rot. Bonds2

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

N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353886) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353886
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C(=O)C1Cc2nc[nH]c2CN1)C1CCSC1
InChIInChI=1S/C12H18N4OS/c1-16(8-2-3-18-6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKeyZYSCLEHIZBPECD-UHFFFAOYSA-N
XLogP0.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353886) is N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(C(=O)C1Cc2nc[nH]c2CN1)C1CCSC1.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is ZYSCLEHIZBPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-16(8-2-3-18-6-8)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,2-6H2,1H3,(H,14,15).
What are the key properties of N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).