3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H18F3N5OS — CID 155878109

IUPAC3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCCN(Cc2nccs2)C1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)9-21-13(24)14(23-6-3-19-11-23)2-1-5-22(10-14)8-12-20-4-7-25-12/h3-4,6-7,11H,1-2,5,8-10H2,(H,21,24)
InChIKeyRTQQFFUGDFCWBY-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.01
Rot. Bonds5

About 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 155878109) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID155878109
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCCN(Cc2nccs2)C1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)9-21-13(24)14(23-6-3-19-11-23)2-1-5-22(10-14)8-12-20-4-7-25-12/h3-4,6-7,11H,1-2,5,8-10H2,(H,21,24)
InChIKeyRTQQFFUGDFCWBY-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 155878109) is 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1(n2ccnc2)CCCN(Cc2nccs2)C1.
What is the InChIKey of 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is RTQQFFUGDFCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c16-15(17,18)9-21-13(24)14(23-6-3-19-11-23)2-1-5-22(10-14)8-12-20-4-7-25-12/h3-4,6-7,11H,1-2,5,8-10H2,(H,21,24).
What are the key properties of 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155878109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).