2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide

C15H17FN2O2S2 — CID 111436261

IUPAC2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C15H17FN2O2S2/c1-15(20,9-21-2)8-18-13(19)12-7-17-14(22-12)10-5-3-4-6-11(10)16/h3-7,20H,8-9H2,1-2H3,(H,18,19)
InChIKeyWKTJTWBLJPYYGW-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.79
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 111436261) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID111436261
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC Name2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C15H17FN2O2S2/c1-15(20,9-21-2)8-18-13(19)12-7-17-14(22-12)10-5-3-4-6-11(10)16/h3-7,20H,8-9H2,1-2H3,(H,18,19)
InChIKeyWKTJTWBLJPYYGW-UHFFFAOYSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 154839293
N-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99809033
2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175
ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
2,3,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103738048
3-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103707610
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)isoquinoline-1-carboxamide
CID 103681634
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide (CID 111436261) is 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide is CSCC(C)(O)CNC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WKTJTWBLJPYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-15(20,9-21-2)8-18-13(19)12-7-17-14(22-12)10-5-3-4-6-11(10)16/h3-7,20H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111436261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).