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

C15H16N6OS — CID 95862825

IUPAC(4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C15H16N6OS/c1-21(7-9-2-3-10-12(6-9)20-23-19-10)15(22)14-13-11(4-5-16-14)17-8-18-13/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyCFLGVCDWFXXIJQ-AWEZNQCLSA-N
MW328.40 g/mol
LogP1.26
Rot. Bonds3

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

(4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95862825) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95862825
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name(4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C15H16N6OS/c1-21(7-9-2-3-10-12(6-9)20-23-19-10)15(22)14-13-11(4-5-16-14)17-8-18-13/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyCFLGVCDWFXXIJQ-AWEZNQCLSA-N
XLogP1.26
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95862825) is (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1NCCc2[nH]cnc21.
What is the InChIKey of (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is CFLGVCDWFXXIJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-21(7-9-2-3-10-12(6-9)20-23-19-10)15(22)14-13-11(4-5-16-14)17-8-18-13/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).