N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride

C12H13ClN4OS — CID 71778985

IUPACN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2c(s1)CNCC2)c1ccccn1
InChIInChI=1S/C12H12N4OS.ClH/c17-11(9-3-1-2-5-14-9)16-12-15-8-4-6-13-7-10(8)18-12;/h1-3,5,13H,4,6-7H2,(H,15,16,17);1H
InChIKeyIRBBMKYZRLABGH-UHFFFAOYSA-N
MW296.78 g/mol
LogP1.86
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 71778985) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID71778985
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2c(s1)CNCC2)c1ccccn1
InChIInChI=1S/C12H12N4OS.ClH/c17-11(9-3-1-2-5-14-9)16-12-15-8-4-6-13-7-10(8)18-12;/h1-3,5,13H,4,6-7H2,(H,15,16,17);1H
InChIKeyIRBBMKYZRLABGH-UHFFFAOYSA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-2-carboxamide
CID 82194079
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 65199010
2-ethoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593369
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiadiazole-5-carboxamide
CID 43593229
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 43593340
4-nitro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593216
N-[5-(2-propylpentanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528299
2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 82799082

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride (CID 71778985) is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nc2c(s1)CNCC2)c1ccccn1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is IRBBMKYZRLABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS.ClH/c17-11(9-3-1-2-5-14-9)16-12-15-8-4-6-13-7-10(8)18-12;/h1-3,5,13H,4,6-7H2,(H,15,16,17);1H.
What are the key properties of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride?
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 71778985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).