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

C18H12N4OS — CID 134011955

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccc2ncccc12
InChIInChI=1S/C18H12N4OS/c23-16(14-8-4-10-15-13(14)9-5-11-19-15)20-18-22-21-17(24-18)12-6-2-1-3-7-12/h1-11H,(H,20,22,23)
InChIKeyRUHKYOHNGBWPOT-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.01
Rot. Bonds3

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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide (PubChem CID 134011955) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
PubChem CID134011955
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccc2ncccc12
InChIInChI=1S/C18H12N4OS/c23-16(14-8-4-10-15-13(14)9-5-11-19-15)20-18-22-21-17(24-18)12-6-2-1-3-7-12/h1-11H,(H,20,22,23)
InChIKeyRUHKYOHNGBWPOT-UHFFFAOYSA-N
XLogP4.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 23966330
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 167755198
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24621163
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide (CID 134011955) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2ncccc12.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The InChIKey is RUHKYOHNGBWPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-16(14-8-4-10-15-13(14)9-5-11-19-15)20-18-22-21-17(24-18)12-6-2-1-3-7-12/h1-11H,(H,20,22,23).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide is sourced from PubChem (CID 134011955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).