4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole

C19H14ClFN4S — CID 27371346

IUPAC4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
SMILESCc1cc(F)ccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)cs2)c1C
InChIInChI=1S/C19H14ClFN4S/c1-11-9-15(21)7-8-17(11)25-12(2)18(23-24-25)19-22-16(10-26-19)13-3-5-14(20)6-4-13/h3-10H,1-2H3
InChIKeyDNPVHHUQXINLEE-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.47
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole (PubChem CID 27371346) has the molecular formula C19H14ClFN4S and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
PubChem CID27371346
Molecular FormulaC19H14ClFN4S
Molecular Weight384.87 g/mol
Exact Mass384.06
IUPAC Name4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
SMILESCc1cc(F)ccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)cs2)c1C
InChIInChI=1S/C19H14ClFN4S/c1-11-9-15(21)7-8-17(11)25-12(2)18(23-24-25)19-22-16(10-26-19)13-3-5-14(20)6-4-13/h3-10H,1-2H3
InChIKeyDNPVHHUQXINLEE-UHFFFAOYSA-N
XLogP5.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole (CID 27371346) is 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole is Cc1cc(F)ccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)cs2)c1C.
What is the InChIKey of 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The InChIKey is DNPVHHUQXINLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4S/c1-11-9-15(21)7-8-17(11)25-12(2)18(23-24-25)19-22-16(10-26-19)13-3-5-14(20)6-4-13/h3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole has a molecular weight of 384.87 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[1-(4-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 27371346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).