N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide

C13H9N3OS — CID 110485084

IUPACN-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cnccc2c1
InChIInChI=1S/C13H9N3OS/c17-12(16-13-15-5-6-18-13)10-1-2-11-8-14-4-3-9(11)7-10/h1-8H,(H,15,16,17)
InChIKeyQNVFPCYHTYUTME-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide

N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide (PubChem CID 110485084) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
PubChem CID110485084
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cnccc2c1
InChIInChI=1S/C13H9N3OS/c17-12(16-13-15-5-6-18-13)10-1-2-11-8-14-4-3-9(11)7-10/h1-8H,(H,15,16,17)
InChIKeyQNVFPCYHTYUTME-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15604762
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-(2-fluorophenyl)isoquinoline-6-carboxamide
CID 110485150
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide (CID 110485084) is N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide is O=C(Nc1nccs1)c1ccc2cnccc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide?
The InChIKey is QNVFPCYHTYUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-12(16-13-15-5-6-18-13)10-1-2-11-8-14-4-3-9(11)7-10/h1-8H,(H,15,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide?
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 110485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).