[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate

C15H13F3N2O3S — CID 59581634

IUPAC[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1c(C)cccc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C15H13F3N2O3S/c1-3-11(21)23-12-8(2)5-4-6-9(12)13(22)20-14-19-10(7-24-14)15(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,22)
InChIKeyJVOORLQZNPAJJL-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.04
Rot. Bonds4

About [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate

[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate (PubChem CID 59581634) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate.

Molecular Properties

Compound Name[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
PubChem CID59581634
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1c(C)cccc1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C15H13F3N2O3S/c1-3-11(21)23-12-8(2)5-4-6-9(12)13(22)20-14-19-10(7-24-14)15(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,22)
InChIKeyJVOORLQZNPAJJL-UHFFFAOYSA-N
XLogP4.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-6-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamoyl]phenyl] acetate
CID 59581668
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
(2-carbonochloridoylphenyl) acetate;dichloromethane;2-hydroxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide;4-(trifluoromethyl)-1,3-thiazol-2-amine;[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 159481561
1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
CID 56968286
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate?
The IUPAC name of [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate (CID 59581634) is [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate.
What is the SMILES notation for [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate?
The canonical SMILES for [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate is CCC(=O)Oc1c(C)cccc1C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate?
The InChIKey is JVOORLQZNPAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-3-11(21)23-12-8(2)5-4-6-9(12)13(22)20-14-19-10(7-24-14)15(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,22).
What are the key properties of [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate?
[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate has a molecular weight of 358.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate is sourced from PubChem (CID 59581634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).