N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine

C13H12N4S — CID 105172703

IUPACN-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)c1cnns1
InChIInChI=1S/C13H12N4S/c1-14-13(12-8-16-17-18-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3
InChIKeyOCAPVXRFJARIQM-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine

N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine (PubChem CID 105172703) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
PubChem CID105172703
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1ccc2cccnc2c1)c1cnns1
InChIInChI=1S/C13H12N4S/c1-14-13(12-8-16-17-18-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3
InChIKeyOCAPVXRFJARIQM-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine (CID 105172703) is N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine is CNC(c1ccc2cccnc2c1)c1cnns1.
What is the InChIKey of N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is OCAPVXRFJARIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-14-13(12-8-16-17-18-12)10-5-4-9-3-2-6-15-11(9)7-10/h2-8,13-14H,1H3.
What are the key properties of N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine?
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 256.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105172703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).