5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole

C19H14FN3S2 — CID 2741195

IUPAC5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(-c3ccccc3F)cc2)c(C)s1
InChIInChI=1S/C19H14FN3S2/c1-11-18(25-23-22-11)19-21-17(12(2)24-19)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,1-2H3
InChIKeyRRMJXHIPQAMTGT-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.75
Rot. Bonds3

About 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole

5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole (PubChem CID 2741195) has the molecular formula C19H14FN3S2 and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole
PubChem CID2741195
Molecular FormulaC19H14FN3S2
Molecular Weight367.47 g/mol
Exact Mass367.06
IUPAC Name5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(-c3ccccc3F)cc2)c(C)s1
InChIInChI=1S/C19H14FN3S2/c1-11-18(25-23-22-11)19-21-17(12(2)24-19)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,1-2H3
InChIKeyRRMJXHIPQAMTGT-UHFFFAOYSA-N
XLogP5.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole?
The IUPAC name of 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole (CID 2741195) is 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole.
What is the SMILES notation for 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole?
The canonical SMILES for 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole is Cc1nnsc1-c1nc(-c2ccc(-c3ccccc3F)cc2)c(C)s1.
What is the InChIKey of 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole?
The InChIKey is RRMJXHIPQAMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S2/c1-11-18(25-23-22-11)19-21-17(12(2)24-19)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,1-2H3.
What are the key properties of 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole?
5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole has a molecular weight of 367.47 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-methylthiadiazole is sourced from PubChem (CID 2741195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).