4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H18F3N5OS — CID 155871796

IUPAC4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2nccs2)CC1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)10-21-13(24)14(23-7-3-19-11-23)1-5-22(6-2-14)9-12-20-4-8-25-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,21,24)
InChIKeyBQKWGTZHKPRXMA-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.01
Rot. Bonds5

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

4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155871796) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155871796
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2nccs2)CC1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)10-21-13(24)14(23-7-3-19-11-23)1-5-22(6-2-14)9-12-20-4-8-25-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,21,24)
InChIKeyBQKWGTZHKPRXMA-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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Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56824865
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 56786880
(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95621117
(2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95621118
2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 154799836
3-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155878109
4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155878445
2-Imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 86768416
2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90493779
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90494686
2-{4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-N-1,3-thiazol-2-ylbutanamide
CID 91833115
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 93795791

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155871796) is 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2nccs2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is BQKWGTZHKPRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c16-15(17,18)10-21-13(24)14(23-7-3-19-11-23)1-5-22(6-2-14)9-12-20-4-8-25-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,21,24).
What are the key properties of 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-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 4-imidazol-1-yl-1-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155871796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).