2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C21H23F6N3O2S — CID 10097299

IUPAC2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(CCN2CCC(O)CC2)nc1C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F6N3O2S/c1-12(13-3-2-4-14(11-13)20(22,23)24)28-19(32)17-18(21(25,26)27)29-16(33-17)7-10-30-8-5-15(31)6-9-30/h2-4,11-12,15,31H,5-10H2,1H3,(H,28,32)
InChIKeyCPEGMLPKDRNFPW-UHFFFAOYSA-N
MW495.49 g/mol
LogP4.67
Rot. Bonds6

About 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 10097299) has the molecular formula C21H23F6N3O2S and a molecular weight of 495.49 g/mol. Its IUPAC name is 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID10097299
Molecular FormulaC21H23F6N3O2S
Molecular Weight495.49 g/mol
Exact Mass495.14
IUPAC Name2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(CCN2CCC(O)CC2)nc1C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F6N3O2S/c1-12(13-3-2-4-14(11-13)20(22,23)24)28-19(32)17-18(21(25,26)27)29-16(33-17)7-10-30-8-5-15(31)6-9-30/h2-4,11-12,15,31H,5-10H2,1H3,(H,28,32)
InChIKeyCPEGMLPKDRNFPW-UHFFFAOYSA-N
XLogP4.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 10435316
5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole;N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 142920661
2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 10346695
2-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 94971363
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
2-[3-(diethylaminomethyl)phenyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 87870402
2-[2-[3-(dimethylamino)propylamino]ethyl]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 22337525
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine
CID 97323333
2-[2-(pentylamino)ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 22337502
4-(2,2,2-trifluoroethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 78888469
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 10097299) is 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(CCN2CCC(O)CC2)nc1C(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CPEGMLPKDRNFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F6N3O2S/c1-12(13-3-2-4-14(11-13)20(22,23)24)28-19(32)17-18(21(25,26)27)29-16(33-17)7-10-30-8-5-15(31)6-9-30/h2-4,11-12,15,31H,5-10H2,1H3,(H,28,32).
What are the key properties of 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10097299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).