3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C14H13F3N2OS — CID 110388516

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1csc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2OS/c1-9-8-21-13(18-9)6-5-12(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7-8H,5-6H2,1H3,(H,19,20)
InChIKeyUMHQZDCJUWNSLK-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.04
Rot. Bonds4

About 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 110388516) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID110388516
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1csc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2OS/c1-9-8-21-13(18-9)6-5-12(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7-8H,5-6H2,1H3,(H,19,20)
InChIKeyUMHQZDCJUWNSLK-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3004190
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 20863134
2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8844226

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 110388516) is 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1csc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UMHQZDCJUWNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-9-8-21-13(18-9)6-5-12(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7-8H,5-6H2,1H3,(H,19,20).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110388516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).