5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine

C13H12N4S — CID 79002594

IUPAC5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc3cccnc23)s1
InChIInChI=1S/C13H12N4S/c1-9-16-17-13(18-9)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7H,8H2,1H3,(H,15,17)
InChIKeyFLYXJILUHRMSQQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 79002594) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID79002594
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc3cccnc23)s1
InChIInChI=1S/C13H12N4S/c1-9-16-17-13(18-9)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7H,8H2,1H3,(H,15,17)
InChIKeyFLYXJILUHRMSQQ-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 81435793
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
CID 81435677
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 79002594) is 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cccc3cccnc23)s1.
What is the InChIKey of 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FLYXJILUHRMSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-16-17-13(18-9)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79002594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).