2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C19H12Cl2F3NS — CID 2741038

IUPAC2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1
InChIInChI=1S/C19H12Cl2F3NS/c20-13-5-6-14(15(21)9-13)18(7-8-18)17-25-16(10-26-17)11-1-3-12(4-2-11)19(22,23)24/h1-6,9-10H,7-8H2
InChIKeyHEMFXLUXQRHCLQ-UHFFFAOYSA-N
MW414.28 g/mol
LogP7.22
Rot. Bonds3

About 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 2741038) has the molecular formula C19H12Cl2F3NS and a molecular weight of 414.28 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID2741038
Molecular FormulaC19H12Cl2F3NS
Molecular Weight414.28 g/mol
Exact Mass413.00
IUPAC Name2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1
InChIInChI=1S/C19H12Cl2F3NS/c20-13-5-6-14(15(21)9-13)18(7-8-18)17-25-16(10-26-17)11-1-3-12(4-2-11)19(22,23)24/h1-6,9-10H,7-8H2
InChIKeyHEMFXLUXQRHCLQ-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.28
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 2741038) is 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is HEMFXLUXQRHCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NS/c20-13-5-6-14(15(21)9-13)18(7-8-18)17-25-16(10-26-17)11-1-3-12(4-2-11)19(22,23)24/h1-6,9-10H,7-8H2.
What are the key properties of 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 414.28 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 2741038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).