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

C18H14N4S — CID 24938686

IUPACN-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)12-19-18-22-21-17(23-18)16-11-10-14-8-4-5-9-15(14)20-16/h1-11H,12H2,(H,19,22)
InChIKeyDCMRCVXADKAXPC-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds4

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

N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 24938686) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID24938686
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)12-19-18-22-21-17(23-18)16-11-10-14-8-4-5-9-15(14)20-16/h1-11H,12H2,(H,19,22)
InChIKeyDCMRCVXADKAXPC-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938566
N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938565
4-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 135541441
N-benzyl-5-chloro-1,3,4-thiadiazol-2-amine
CID 75446200
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 131017877
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (CID 24938686) is N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(CNc2nnc(-c3ccc4ccccc4n3)s2)cc1.
What is the InChIKey of N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is DCMRCVXADKAXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-6-13(7-3-1)12-19-18-22-21-17(23-18)16-11-10-14-8-4-5-9-15(14)20-16/h1-11H,12H2,(H,19,22).
What are the key properties of N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 318.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24938686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).