N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine

C13H12N4S — CID 82447733

IUPACN-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C13H12N4S/c1-8-7-10(12-16-17-13(14-2)18-12)9-5-3-4-6-11(9)15-8/h3-7H,1-2H3,(H,14,17)
InChIKeyBCQANHYBYLXXJB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.10
Rot. Bonds2

About N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine

N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82447733) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82447733
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C13H12N4S/c1-8-7-10(12-16-17-13(14-2)18-12)9-5-3-4-6-11(9)15-8/h3-7H,1-2H3,(H,14,17)
InChIKeyBCQANHYBYLXXJB-UHFFFAOYSA-N
XLogP3.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
2-methylquinolin-4-amine
CID 162035180
N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82449224
N-ethyl-5-(2-methylquinolin-4-yl)-1,3-thiazol-2-amine
CID 116811999
1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 79235133
2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 79235363
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
CID 79235359
5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79235763
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79233270
(2-methylquinolin-4-yl)methanethiol
CID 79885955

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine (CID 82447733) is N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cc(C)nc3ccccc23)s1.
What is the InChIKey of N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BCQANHYBYLXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-7-10(12-16-17-13(14-2)18-12)9-5-3-4-6-11(9)15-8/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82447733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).