N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

C18H17ClN4OS — CID 86780202

IUPACN-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2csnn2)cc1)C1NCCc2ccccc21
InChIInChI=1S/C18H16N4OS.ClH/c23-18(17-15-4-2-1-3-12(15)9-10-19-17)20-14-7-5-13(6-8-14)16-11-24-22-21-16;/h1-8,11,17,19H,9-10H2,(H,20,23);1H
InChIKeyUOVQGCHQVDVDOS-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (PubChem CID 86780202) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
PubChem CID86780202
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2csnn2)cc1)C1NCCc2ccccc21
InChIInChI=1S/C18H16N4OS.ClH/c23-18(17-15-4-2-1-3-12(15)9-10-19-17)20-14-7-5-13(6-8-14)16-11-24-22-21-16;/h1-8,11,17,19H,9-10H2,(H,20,23);1H
InChIKeyUOVQGCHQVDVDOS-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (CID 86780202) is N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2csnn2)cc1)C1NCCc2ccccc21.
What is the InChIKey of N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The InChIKey is UOVQGCHQVDVDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS.ClH/c23-18(17-15-4-2-1-3-12(15)9-10-19-17)20-14-7-5-13(6-8-14)16-11-24-22-21-16;/h1-8,11,17,19H,9-10H2,(H,20,23);1H.
What are the key properties of N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride has a molecular weight of 372.88 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 86780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).