4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole

C16H12N6S — CID 50956899

IUPAC4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole
SMILESc1cnc2c(-n3nc(C4CC4)nc3-c3csnn3)cccc2c1
InChIInChI=1S/C16H12N6S/c1-3-10-4-2-8-17-14(10)13(5-1)22-16(12-9-23-21-19-12)18-15(20-22)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeyWFKAPSDDDBWJRC-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.21
Rot. Bonds3

About 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole

4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole (PubChem CID 50956899) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole
PubChem CID50956899
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole
SMILESc1cnc2c(-n3nc(C4CC4)nc3-c3csnn3)cccc2c1
InChIInChI=1S/C16H12N6S/c1-3-10-4-2-8-17-14(10)13(5-1)22-16(12-9-23-21-19-12)18-15(20-22)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeyWFKAPSDDDBWJRC-UHFFFAOYSA-N
XLogP3.21
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[3-(oxan-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazol-1-yl]quinoline
CID 74239290
8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
CID 50955837
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
8-cyclopropylquinoline
CID 66823369
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
5-pyridin-2-yl-1-quinolin-8-ylpyrazole-3-carbonitrile
CID 82220280
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62401361
5-propyl-1-quinolin-8-yltriazol-4-amine
CID 79502823
2-quinolin-8-yl-3,4-dihydropyrazol-5-amine
CID 13195247

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole?
The IUPAC name of 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole (CID 50956899) is 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole.
What is the SMILES notation for 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole?
The canonical SMILES for 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole is c1cnc2c(-n3nc(C4CC4)nc3-c3csnn3)cccc2c1.
What is the InChIKey of 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole?
The InChIKey is WFKAPSDDDBWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-3-10-4-2-8-17-14(10)13(5-1)22-16(12-9-23-21-19-12)18-15(20-22)11-6-7-11/h1-5,8-9,11H,6-7H2.
What are the key properties of 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole?
4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole has a molecular weight of 320.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole is sourced from PubChem (CID 50956899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).