quinolin-5-yl(thiadiazol-4-yl)methanamine

C12H10N4S — CID 105171903

IUPACquinolin-5-yl(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cccc2ncccc12
InChIInChI=1S/C12H10N4S/c13-12(11-7-17-16-15-11)9-3-1-5-10-8(9)4-2-6-14-10/h1-7,12H,13H2
InChIKeyYAKQEVTVTJEBPH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.13
Rot. Bonds2

About quinolin-5-yl(thiadiazol-4-yl)methanamine

quinolin-5-yl(thiadiazol-4-yl)methanamine (PubChem CID 105171903) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is quinolin-5-yl(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Namequinolin-5-yl(thiadiazol-4-yl)methanamine
PubChem CID105171903
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Namequinolin-5-yl(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cccc2ncccc12
InChIInChI=1S/C12H10N4S/c13-12(11-7-17-16-15-11)9-3-1-5-10-8(9)4-2-6-14-10/h1-7,12H,13H2
InChIKeyYAKQEVTVTJEBPH-UHFFFAOYSA-N
XLogP2.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanamine
CID 105171984
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
CID 114023159
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
CID 115604916
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785673

Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl(thiadiazol-4-yl)methanamine?
The IUPAC name of quinolin-5-yl(thiadiazol-4-yl)methanamine (CID 105171903) is quinolin-5-yl(thiadiazol-4-yl)methanamine.
What is the SMILES notation for quinolin-5-yl(thiadiazol-4-yl)methanamine?
The canonical SMILES for quinolin-5-yl(thiadiazol-4-yl)methanamine is NC(c1csnn1)c1cccc2ncccc12.
What is the InChIKey of quinolin-5-yl(thiadiazol-4-yl)methanamine?
The InChIKey is YAKQEVTVTJEBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-12(11-7-17-16-15-11)9-3-1-5-10-8(9)4-2-6-14-10/h1-7,12H,13H2.
What are the key properties of quinolin-5-yl(thiadiazol-4-yl)methanamine?
quinolin-5-yl(thiadiazol-4-yl)methanamine has a molecular weight of 242.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-yl(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105171903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).