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

C18H19F3N4O2S — CID 27377791

IUPAC1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)12-2-1-3-13(8-12)23-17-24-14(10-28-17)9-15(26)25-6-4-11(5-7-25)16(22)27/h1-3,8,10-11H,4-7,9H2,(H2,22,27)(H,23,24)
InChIKeyYPJHQKMQIBYSMX-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.17
Rot. Bonds5

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

1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 27377791) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID27377791
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)12-2-1-3-13(8-12)23-17-24-14(10-28-17)9-15(26)25-6-4-11(5-7-25)16(22)27/h1-3,8,10-11H,4-7,9H2,(H2,22,27)(H,23,24)
InChIKeyYPJHQKMQIBYSMX-UHFFFAOYSA-N
XLogP3.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 27377791) is 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is YPJHQKMQIBYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c19-18(20,21)12-2-1-3-13(8-12)23-17-24-14(10-28-17)9-15(26)25-6-4-11(5-7-25)16(22)27/h1-3,8,10-11H,4-7,9H2,(H2,22,27)(H,23,24).
What are the key properties of 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 27377791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).