N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride

C12H13ClN4OS — CID 119547224

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)c1csnn1
InChIInChI=1S/C12H12N4OS.ClH/c17-12(11-7-18-16-15-11)14-9-3-4-10-8(6-9)2-1-5-13-10;/h3-4,6-7,13H,1-2,5H2,(H,14,17);1H
InChIKeyXSQFHNUXOJQNIA-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.57
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride

N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride (PubChem CID 119547224) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
PubChem CID119547224
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)c1csnn1
InChIInChI=1S/C12H12N4OS.ClH/c17-12(11-7-18-16-15-11)14-9-3-4-10-8(6-9)2-1-5-13-10;/h3-4,6-7,13H,1-2,5H2,(H,14,17);1H
InChIKeyXSQFHNUXOJQNIA-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)thiadiazole-4-carboxamide
CID 65216392
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
CID 119547328
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride (CID 119547224) is N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CCCN2)c1csnn1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride?
The InChIKey is XSQFHNUXOJQNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS.ClH/c17-12(11-7-18-16-15-11)14-9-3-4-10-8(6-9)2-1-5-13-10;/h3-4,6-7,13H,1-2,5H2,(H,14,17);1H.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride?
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119547224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).