N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide

C13H10N4OS — CID 7576784

IUPACN-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H10N4OS/c1-8-12(19-17-16-8)13(18)15-11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,1H3,(H,15,18)
InChIKeyMYDHGWUNLYOOTI-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.65
Rot. Bonds2

About N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide

N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide (PubChem CID 7576784) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
PubChem CID7576784
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC NameN-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H10N4OS/c1-8-12(19-17-16-8)13(18)15-11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,1H3,(H,15,18)
InChIKeyMYDHGWUNLYOOTI-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-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
isoquinolin-5-ylthiourea
CID 1480924
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
4,5-dibromo-N-isoquinolin-5-ylthiophene-2-carboxamide
CID 29371541
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide (CID 7576784) is N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide?
The InChIKey is MYDHGWUNLYOOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-8-12(19-17-16-8)13(18)15-11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,1H3,(H,15,18).
What are the key properties of N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide?
N-isoquinolin-5-yl-4-methylthiadiazole-5-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-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).