4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H20F3N5OS — CID 155878445

IUPAC4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)cs1
InChIInChI=1S/C16H20F3N5OS/c1-12-22-13(9-26-12)8-23-5-2-15(3-6-23,24-7-4-20-11-24)14(25)21-10-16(17,18)19/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,21,25)
InChIKeyGKCPTYHFWPXBEB-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.32
Rot. Bonds5

About 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155878445) has the molecular formula C16H20F3N5OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155878445
Molecular FormulaC16H20F3N5OS
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC Name4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)cs1
InChIInChI=1S/C16H20F3N5OS/c1-12-22-13(9-26-12)8-23-5-2-15(3-6-23,24-7-4-20-11-24)14(25)21-10-16(17,18)19/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,21,25)
InChIKeyGKCPTYHFWPXBEB-UHFFFAOYSA-N
XLogP2.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155878445) is 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)cs1.
What is the InChIKey of 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is GKCPTYHFWPXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5OS/c1-12-22-13(9-26-12)8-23-5-2-15(3-6-23,24-7-4-20-11-24)14(25)21-10-16(17,18)19/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,21,25).
What are the key properties of 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155878445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).