N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C13H21ClN4OS — CID 18442771

IUPACN-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)NC3CCCC3N)sc2C1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-17-6-5-10-11(7-17)19-13(16-10)12(18)15-9-4-2-3-8(9)14;/h8-9H,2-7,14H2,1H3,(H,15,18);1H
InChIKeyLFWYISVIXRUQIX-UHFFFAOYSA-N
MW316.86 g/mol
LogP1.16
Rot. Bonds2

About N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 18442771) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID18442771
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC NameN-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)NC3CCCC3N)sc2C1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-17-6-5-10-11(7-17)19-13(16-10)12(18)15-9-4-2-3-8(9)14;/h8-9H,2-7,14H2,1H3,(H,15,18);1H
InChIKeyLFWYISVIXRUQIX-UHFFFAOYSA-N
XLogP1.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 18442771) is N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)NC3CCCC3N)sc2C1.Cl.
What is the InChIKey of N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is LFWYISVIXRUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.ClH/c1-17-6-5-10-11(7-17)19-13(16-10)12(18)15-9-4-2-3-8(9)14;/h8-9H,2-7,14H2,1H3,(H,15,18);1H.
What are the key properties of N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 316.86 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 18442771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).