2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide

C13H13F3N2OS2 — CID 166310725

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide
SMILESCc1ncsc1CC(=O)NC(C)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2OS2/c1-7-10(20-6-17-7)5-12(19)18-8(2)9-3-4-11(21-9)13(14,15)16/h3-4,6,8H,5H2,1-2H3,(H,18,19)
InChIKeyTXIBUWATYJNOBF-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide

2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide (PubChem CID 166310725) has the molecular formula C13H13F3N2OS2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide
PubChem CID166310725
Molecular FormulaC13H13F3N2OS2
Molecular Weight334.39 g/mol
Exact Mass334.04
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide
SMILESCc1ncsc1CC(=O)NC(C)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2OS2/c1-7-10(20-6-17-7)5-12(19)18-8(2)9-3-4-11(21-9)13(14,15)16/h3-4,6,8H,5H2,1-2H3,(H,18,19)
InChIKeyTXIBUWATYJNOBF-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[1-[5-(trifluoromethyl)thiophen-2-yl]ethylamino]ethyl]pyrazole-4-carboxylic acid
CID 146141641
N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
CID 12933946
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-(4-methyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110679736
N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110858418
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679697
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide (CID 166310725) is 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide is Cc1ncsc1CC(=O)NC(C)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide?
The InChIKey is TXIBUWATYJNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS2/c1-7-10(20-6-17-7)5-12(19)18-8(2)9-3-4-11(21-9)13(14,15)16/h3-4,6,8H,5H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide?
2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide has a molecular weight of 334.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 166310725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).