N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide

C13H10N4OS — CID 110485085

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3cnccc3c2)s1
InChIInChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)10-2-3-11-7-14-5-4-9(11)6-10/h2-7H,1H3,(H,15,17,18)
InChIKeyIWHASIRQVFJOMJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.65
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide (PubChem CID 110485085) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
PubChem CID110485085
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3cnccc3c2)s1
InChIInChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)10-2-3-11-7-14-5-4-9(11)6-10/h2-7H,1H3,(H,15,17,18)
InChIKeyIWHASIRQVFJOMJ-UHFFFAOYSA-N
XLogP2.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-ethylisoquinoline-6-carboxamide
CID 110485080
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
CID 19832303
N-(2-fluorophenyl)isoquinoline-6-carboxamide
CID 110485150
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide (CID 110485085) is N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide is Cc1nnc(NC(=O)c2ccc3cnccc3c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide?
The InChIKey is IWHASIRQVFJOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)10-2-3-11-7-14-5-4-9(11)6-10/h2-7H,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 110485085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).