4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole

C12H8F3NS — CID 114016042

IUPAC4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole
SMILESFc1cc(F)c(-c2nc(C3CC3)cs2)c(F)c1
InChIInChI=1S/C12H8F3NS/c13-7-3-8(14)11(9(15)4-7)12-16-10(5-17-12)6-1-2-6/h3-6H,1-2H2
InChIKeyNMHXHEUPWXDURF-UHFFFAOYSA-N
MW255.26 g/mol
LogP4.10
Rot. Bonds2

About 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole

4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole (PubChem CID 114016042) has the molecular formula C12H8F3NS and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole
PubChem CID114016042
Molecular FormulaC12H8F3NS
Molecular Weight255.26 g/mol
Exact Mass255.03
IUPAC Name4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole
SMILESFc1cc(F)c(-c2nc(C3CC3)cs2)c(F)c1
InChIInChI=1S/C12H8F3NS/c13-7-3-8(14)11(9(15)4-7)12-16-10(5-17-12)6-1-2-6/h3-6H,1-2H2
InChIKeyNMHXHEUPWXDURF-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
4-cyclopropyl-2-pyrimidin-5-yl-1,3-thiazole
CID 131084886
4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
CID 116888592
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
2-cyclopropyl-6,8-difluoroquinolin-4-amine
CID 63357751
2-methyl-2-[2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 107920304
4-(4-cyclopropyl-1,3-thiazol-2-yl)thiadiazol-5-amine
CID 122154731
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327011
3-(4-cyclopropyl-1,3-thiazol-2-yl)benzoic acid
CID 63903085
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888662
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole (CID 114016042) is 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole is Fc1cc(F)c(-c2nc(C3CC3)cs2)c(F)c1.
What is the InChIKey of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole?
The InChIKey is NMHXHEUPWXDURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NS/c13-7-3-8(14)11(9(15)4-7)12-16-10(5-17-12)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole?
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole has a molecular weight of 255.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole is sourced from PubChem (CID 114016042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).