N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C12H12N4OS — CID 114912361

IUPACN-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1cnns1)C1CNCc2ccccc21
InChIInChI=1S/C12H12N4OS/c17-12(15-11-7-14-16-18-11)10-6-13-5-8-3-1-2-4-9(8)10/h1-4,7,10,13H,5-6H2,(H,15,17)
InChIKeyOAUNURMXTSOSOR-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.36
Rot. Bonds2

About N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 114912361) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID114912361
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1cnns1)C1CNCc2ccccc21
InChIInChI=1S/C12H12N4OS/c17-12(15-11-7-14-16-18-11)10-6-13-5-8-3-1-2-4-9(8)10/h1-4,7,10,13H,5-6H2,(H,15,17)
InChIKeyOAUNURMXTSOSOR-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 114912361) is N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1cnns1)C1CNCc2ccccc21.
What is the InChIKey of N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is OAUNURMXTSOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(15-11-7-14-16-18-11)10-6-13-5-8-3-1-2-4-9(8)10/h1-4,7,10,13H,5-6H2,(H,15,17).
What are the key properties of N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 114912361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).