2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C16H17F3N2OS2 — CID 55535369

IUPAC2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H17F3N2OS2/c17-16(18,19)11-2-1-3-12(6-11)20-14(22)7-13-9-24-15(21-13)10-4-5-23-8-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,20,22)
InChIKeyBHOGORHBLDNBFJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 55535369) has the molecular formula C16H17F3N2OS2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID55535369
Molecular FormulaC16H17F3N2OS2
Molecular Weight374.45 g/mol
Exact Mass374.07
IUPAC Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H17F3N2OS2/c17-16(18,19)11-2-1-3-12(6-11)20-14(22)7-13-9-24-15(21-13)10-4-5-23-8-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,20,22)
InChIKeyBHOGORHBLDNBFJ-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 55535369) is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is O=C(Cc1csc(-c2ccsc2)n1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BHOGORHBLDNBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS2/c17-16(18,19)11-2-1-3-12(6-11)20-14(22)7-13-9-24-15(21-13)10-4-5-23-8-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,20,22).
What are the key properties of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 55535369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).