(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

C13H11F3N2O2S — CID 75408174

IUPAC(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H11F3N2O2S/c1-18(12(19)5-4-9-3-2-6-20-9)7-11-17-10(8-21-11)13(14,15)16/h2-6,8H,7H2,1H3/b5-4+
InChIKeyJUEHOHHXYCIQJL-SNAWJCMRSA-N
MW316.30 g/mol
LogP3.43
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide (PubChem CID 75408174) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
PubChem CID75408174
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H11F3N2O2S/c1-18(12(19)5-4-9-3-2-6-20-9)7-11-17-10(8-21-11)13(14,15)16/h2-6,8H,7H2,1H3/b5-4+
InChIKeyJUEHOHHXYCIQJL-SNAWJCMRSA-N
XLogP3.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 122144134
(E)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 51096299
5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429253
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
5-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685824
(E)-3-(furan-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)prop-2-enamide
CID 60619076
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide (CID 75408174) is (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide?
The InChIKey is JUEHOHHXYCIQJL-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-18(12(19)5-4-9-3-2-6-20-9)7-11-17-10(8-21-11)13(14,15)16/h2-6,8H,7H2,1H3/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide has a molecular weight of 316.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 75408174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).