4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C19H14F3N5S — CID 24629381

IUPAC4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1ccccc1-c1nnn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C19H14F3N5S/c1-12-4-2-3-5-16(12)17-24-26-27(25-17)10-15-11-28-18(23-15)13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3
InChIKeyUPPWLUNROQFLID-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.84
Rot. Bonds4

About 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 24629381) has the molecular formula C19H14F3N5S and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID24629381
Molecular FormulaC19H14F3N5S
Molecular Weight401.42 g/mol
Exact Mass401.09
IUPAC Name4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1ccccc1-c1nnn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C19H14F3N5S/c1-12-4-2-3-5-16(12)17-24-26-27(25-17)10-15-11-28-18(23-15)13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3
InChIKeyUPPWLUNROQFLID-UHFFFAOYSA-N
XLogP4.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 24629381) is 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1ccccc1-c1nnn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1.
What is the InChIKey of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is UPPWLUNROQFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5S/c1-12-4-2-3-5-16(12)17-24-26-27(25-17)10-15-11-28-18(23-15)13-6-8-14(9-7-13)19(20,21)22/h2-9,11H,10H2,1H3.
What are the key properties of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 401.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 24629381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).