3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C19H21F3N2OS2 — CID 22315205

IUPAC3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS2/c1-26-16-7-6-13(11-15(16)19(20,21)22)14(10-12-4-2-3-5-12)17(25)24-18-23-8-9-27-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyOTFGUTVJOKCGJA-UHFFFAOYSA-N
MW414.52 g/mol
LogP6.19
Rot. Bonds6

About 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 22315205) has the molecular formula C19H21F3N2OS2 and a molecular weight of 414.52 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID22315205
Molecular FormulaC19H21F3N2OS2
Molecular Weight414.52 g/mol
Exact Mass414.10
IUPAC Name3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS2/c1-26-16-7-6-13(11-15(16)19(20,21)22)14(10-12-4-2-3-5-12)17(25)24-18-23-8-9-27-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyOTFGUTVJOKCGJA-UHFFFAOYSA-N
XLogP6.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
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methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
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3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
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2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
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2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
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[4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-(hydroxyamino)phenyl]methanesulfinate
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3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 22315205) is 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is CSc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OTFGUTVJOKCGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS2/c1-26-16-7-6-13(11-15(16)19(20,21)22)14(10-12-4-2-3-5-12)17(25)24-18-23-8-9-27-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,23,24,25).
What are the key properties of 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 414.52 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22315205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).