1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide

C12H9N5OS — CID 62151425

IUPAC1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)Nc2nncs2)cc2ccccc12
InChIInChI=1S/C12H9N5OS/c13-10-8-4-2-1-3-7(8)5-9(15-10)11(18)16-12-17-14-6-19-12/h1-6H,(H2,13,15)(H,16,17,18)
InChIKeyPPCVMINIYHTRBA-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide

1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide (PubChem CID 62151425) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide
PubChem CID62151425
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)Nc2nncs2)cc2ccccc12
InChIInChI=1S/C12H9N5OS/c13-10-8-4-2-1-3-7(8)5-9(15-10)11(18)16-12-17-14-6-19-12/h1-6H,(H2,13,15)(H,16,17,18)
InChIKeyPPCVMINIYHTRBA-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide
CID 66354413
6-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115496715
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 55043674
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
1-amino-N-(5-oxopyrrolidin-3-yl)isoquinoline-3-carboxamide
CID 106197820
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 80715100

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide (CID 62151425) is 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide is Nc1nc(C(=O)Nc2nncs2)cc2ccccc12.
What is the InChIKey of 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide?
The InChIKey is PPCVMINIYHTRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-10-8-4-2-1-3-7(8)5-9(15-10)11(18)16-12-17-14-6-19-12/h1-6H,(H2,13,15)(H,16,17,18).
What are the key properties of 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide?
1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62151425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).