4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C15H14F3NOS2 — CID 97228917

IUPAC4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESO=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1
InChIInChI=1S/C15H14F3NOS2/c16-15(17,18)12-5-3-11(4-6-12)14-19-13(7-21-14)9-22(20)8-10-1-2-10/h3-7,10H,1-2,8-9H2/t22-/m1/s1
InChIKeyYLGSVHOKJCRKNA-JOCHJYFZSA-N
MW345.41 g/mol
LogP4.49
Rot. Bonds5

About 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 97228917) has the molecular formula C15H14F3NOS2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID97228917
Molecular FormulaC15H14F3NOS2
Molecular Weight345.41 g/mol
Exact Mass345.05
IUPAC Name4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESO=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1
InChIInChI=1S/C15H14F3NOS2/c16-15(17,18)12-5-3-11(4-6-12)14-19-13(7-21-14)9-22(20)8-10-1-2-10/h3-7,10H,1-2,8-9H2/t22-/m1/s1
InChIKeyYLGSVHOKJCRKNA-JOCHJYFZSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013

Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 97228917) is 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is O=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1.
What is the InChIKey of 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is YLGSVHOKJCRKNA-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H14F3NOS2/c16-15(17,18)12-5-3-11(4-6-12)14-19-13(7-21-14)9-22(20)8-10-1-2-10/h3-7,10H,1-2,8-9H2/t22-/m1/s1.
What are the key properties of 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 345.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 97228917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).