(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol

C20H19F6N3OS2 — CID 158200538

IUPAC(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
SMILESCc1nc([C@H](C)O)sc1-c1csc(Cc2ccc(CCC(C(F)(F)F)C(F)(F)F)cn2)n1
InChIInChI=1S/C20H19F6N3OS2/c1-10-17(32-18(28-10)11(2)30)14-9-31-16(29-14)7-13-5-3-12(8-27-13)4-6-15(19(21,22)23)20(24,25)26/h3,5,8-9,11,15,30H,4,6-7H2,1-2H3/t11-/m0/s1
InChIKeyGAWLOPCOCWZDEW-NSHDSACASA-N
MW495.51 g/mol
LogP6.29
Rot. Bonds7

About (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol

(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol (PubChem CID 158200538) has the molecular formula C20H19F6N3OS2 and a molecular weight of 495.51 g/mol. Its IUPAC name is (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
PubChem CID158200538
Molecular FormulaC20H19F6N3OS2
Molecular Weight495.51 g/mol
Exact Mass495.09
IUPAC Name(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
SMILESCc1nc([C@H](C)O)sc1-c1csc(Cc2ccc(CCC(C(F)(F)F)C(F)(F)F)cn2)n1
InChIInChI=1S/C20H19F6N3OS2/c1-10-17(32-18(28-10)11(2)30)14-9-31-16(29-14)7-13-5-3-12(8-27-13)4-6-15(19(21,22)23)20(24,25)26/h3,5,8-9,11,15,30H,4,6-7H2,1-2H3/t11-/m0/s1
InChIKeyGAWLOPCOCWZDEW-NSHDSACASA-N
XLogP6.29
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone;hydrochloride
CID 162202891
2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 148631708
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-3-phenylpropan-1-one
CID 147398133
1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol
CID 144814339
4-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-oxoethyl]benzonitrile
CID 159819083
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone
CID 158200181
4-chloro-N-[2-(6-chloro-3-pyridinyl)ethyl]-2-fluoroaniline;4-chloro-N-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]ethyl]-2-fluoroaniline;2-(6-chloro-3-pyridinyl)acetaldehyde;2-(6-chloro-3-pyridinyl)ethanol
CID 161169880
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 146956911
1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol
CID 138725744
5-[2-[[5-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole;hydrochloride
CID 160926995
2-[(1S,5R)-8-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetonitrile
CID 153081175
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol (CID 158200538) is (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol is Cc1nc([C@H](C)O)sc1-c1csc(Cc2ccc(CCC(C(F)(F)F)C(F)(F)F)cn2)n1.
What is the InChIKey of (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is GAWLOPCOCWZDEW-NSHDSACASA-N. The full InChI is InChI=1S/C20H19F6N3OS2/c1-10-17(32-18(28-10)11(2)30)14-9-31-16(29-14)7-13-5-3-12(8-27-13)4-6-15(19(21,22)23)20(24,25)26/h3,5,8-9,11,15,30H,4,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 495.51 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 158200538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).