N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

C19H23F3N4O2S — CID 25052580

IUPACN-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CCO)s1)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)25-17-24-12-14(29-17)7-10-27/h1-4,12-13,23,27H,5-11H2,(H,24,25,28)
InChIKeyUGKMWEGDCCQIMU-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.05
Rot. Bonds6

About N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (PubChem CID 25052580) has the molecular formula C19H23F3N4O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
PubChem CID25052580
Molecular FormulaC19H23F3N4O2S
Molecular Weight428.48 g/mol
Exact Mass428.15
IUPAC NameN-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CCO)s1)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)25-17-24-12-14(29-17)7-10-27/h1-4,12-13,23,27H,5-11H2,(H,24,25,28)
InChIKeyUGKMWEGDCCQIMU-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-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (CID 25052580) is N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is O=C(Nc1ncc(CCO)s1)N1CCC(CNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The InChIKey is UGKMWEGDCCQIMU-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)25-17-24-12-14(29-17)7-10-27/h1-4,12-13,23,27H,5-11H2,(H,24,25,28).
What are the key properties of N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
N-[5-(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-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 25052580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).