N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

C19H23F3N4O2S — CID 25052546

IUPACN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N4O2S/c20-19(21,22)15-3-1-2-4-16(15)23-11-13-5-8-26(9-6-13)18(28)25-17-24-14(7-10-27)12-29-17/h1-4,12-13,23,27H,5-11H2,(H,24,25,28)
InChIKeyALAWSSWRWHENKG-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.05
Rot. Bonds6

About N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (PubChem CID 25052546) has the molecular formula C19H23F3N4O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
PubChem CID25052546
Molecular FormulaC19H23F3N4O2S
Molecular Weight428.48 g/mol
Exact Mass428.15
IUPAC NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N4O2S/c20-19(21,22)15-3-1-2-4-16(15)23-11-13-5-8-26(9-6-13)18(28)25-17-24-14(7-10-27)12-29-17/h1-4,12-13,23,27H,5-11H2,(H,24,25,28)
InChIKeyALAWSSWRWHENKG-UHFFFAOYSA-N
XLogP4.05
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (CID 25052546) is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is O=C(Nc1nc(CCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The InChIKey is ALAWSSWRWHENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2S/c20-19(21,22)15-3-1-2-4-16(15)23-11-13-5-8-26(9-6-13)18(28)25-17-24-14(7-10-27)12-29-17/h1-4,12-13,23,27H,5-11H2,(H,24,25,28).
What are the key properties of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 25052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).