2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C13H13F6N3O2S — CID 167899172

IUPAC2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCc1nscc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F
InChIInChI=1S/C13H13F6N3O2S/c1-6-8(5-25-21-6)10(23)22-4-7(20-11(24)13(17,18)19)2-3-9(22)12(14,15)16/h5,7,9H,2-4H2,1H3,(H,20,24)/t7-,9+/m1/s1
InChIKeyULFBEOWDMPHKRI-APPZFPTMSA-N
MW389.32 g/mol
LogP2.67
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 167899172) has the molecular formula C13H13F6N3O2S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID167899172
Molecular FormulaC13H13F6N3O2S
Molecular Weight389.32 g/mol
Exact Mass389.06
IUPAC Name2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCc1nscc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F
InChIInChI=1S/C13H13F6N3O2S/c1-6-8(5-25-21-6)10(23)22-4-7(20-11(24)13(17,18)19)2-3-9(22)12(14,15)16/h5,7,9H,2-4H2,1H3,(H,20,24)/t7-,9+/m1/s1
InChIKeyULFBEOWDMPHKRI-APPZFPTMSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 167899172) is 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is Cc1nscc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is ULFBEOWDMPHKRI-APPZFPTMSA-N. The full InChI is InChI=1S/C13H13F6N3O2S/c1-6-8(5-25-21-6)10(23)22-4-7(20-11(24)13(17,18)19)2-3-9(22)12(14,15)16/h5,7,9H,2-4H2,1H3,(H,20,24)/t7-,9+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 389.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 167899172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).