N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine

C17H12N4S — CID 24938565

IUPACN-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C17H12N4S/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H,(H,18,21)
InChIKeyYCHPETWCOYXXMQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.50
Rot. Bonds3

About N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine

N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 24938565) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID24938565
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC NameN-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C17H12N4S/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H,(H,18,21)
InChIKeyYCHPETWCOYXXMQ-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938686
N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938566
5-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 155486327
iridium;tris(2-phenylquinoline)
CID 122129463
2-quinolin-2-yl-1,3-thiazole-5-carboxylic acid
CID 63222493
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 5147983
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
CID 143729312
5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 23878745
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
CID 102943376
1-[4-(5-anilino-1,3,4-thiadiazol-2-yl)phenyl]-3-phenylthiourea
CID 3002888

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (CID 24938565) is N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(-c3ccc4ccccc4n3)s2)cc1.
What is the InChIKey of N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YCHPETWCOYXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h1-11H,(H,18,21).
What are the key properties of N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24938565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).