4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole

C14H11N3S — CID 47046198

IUPAC4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole
SMILESCc1ccc2nc(/C=C/c3csnn3)ccc2c1
InChIInChI=1S/C14H11N3S/c1-10-2-7-14-11(8-10)3-4-12(15-14)5-6-13-9-18-17-16-13/h2-9H,1H3/b6-5+
InChIKeyMKPSDPFVCPWNHR-AATRIKPKSA-N
MW253.33 g/mol
LogP3.57
Rot. Bonds2

About 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole

4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole (PubChem CID 47046198) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole.

Molecular Properties

Compound Name4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole
PubChem CID47046198
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole
SMILESCc1ccc2nc(/C=C/c3csnn3)ccc2c1
InChIInChI=1S/C14H11N3S/c1-10-2-7-14-11(8-10)3-4-12(15-14)5-6-13-9-18-17-16-13/h2-9H,1H3/b6-5+
InChIKeyMKPSDPFVCPWNHR-AATRIKPKSA-N
XLogP3.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole?
The IUPAC name of 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole (CID 47046198) is 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole.
What is the SMILES notation for 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole?
The canonical SMILES for 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole is Cc1ccc2nc(/C=C/c3csnn3)ccc2c1.
What is the InChIKey of 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole?
The InChIKey is MKPSDPFVCPWNHR-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11N3S/c1-10-2-7-14-11(8-10)3-4-12(15-14)5-6-13-9-18-17-16-13/h2-9H,1H3/b6-5+.
What are the key properties of 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole?
4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole has a molecular weight of 253.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole is sourced from PubChem (CID 47046198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).