N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide

C17H11N5OS — CID 122555332

IUPACN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1ccc2ccncc2c1
InChIInChI=1S/C17H11N5OS/c23-16(12-5-4-11-6-8-18-10-13(11)9-12)21-17-20-15(22-24-17)14-3-1-2-7-19-14/h1-10H,(H,20,21,22,23)
InChIKeyGPXMIOCGSOOOME-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.40
Rot. Bonds3

About N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide

N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide (PubChem CID 122555332) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
PubChem CID122555332
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC NameN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1ccc2ccncc2c1
InChIInChI=1S/C17H11N5OS/c23-16(12-5-4-11-6-8-18-10-13(11)9-12)21-17-20-15(22-24-17)14-3-1-2-7-19-14/h1-10H,(H,20,21,22,23)
InChIKeyGPXMIOCGSOOOME-UHFFFAOYSA-N
XLogP3.40
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide
CID 122555409
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
CID 122555393
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-(2-fluorophenyl)isoquinoline-6-carboxamide
CID 110485150
N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 65268791
isoquinoline-7-carboxylic acid
CID 18468721

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide?
The IUPAC name of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide (CID 122555332) is N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide?
The canonical SMILES for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide is O=C(Nc1nc(-c2ccccn2)ns1)c1ccc2ccncc2c1.
What is the InChIKey of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide?
The InChIKey is GPXMIOCGSOOOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c23-16(12-5-4-11-6-8-18-10-13(11)9-12)21-17-20-15(22-24-17)14-3-1-2-7-19-14/h1-10H,(H,20,21,22,23).
What are the key properties of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide?
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide is sourced from PubChem (CID 122555332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).