(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide

C18H15F3N4OS — CID 71082020

IUPAC(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C18H15F3N4OS/c1-11-17(25-15(26)6-5-14-9-22-10-23-14)27-16(24-11)8-12-3-2-4-13(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23)(H,25,26)/b6-5+
InChIKeyZZVIHFAMBUCZFZ-AATRIKPKSA-N
MW392.41 g/mol
LogP4.44
Rot. Bonds5

About (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide

(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 71082020) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID71082020
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C18H15F3N4OS/c1-11-17(25-15(26)6-5-14-9-22-10-23-14)27-16(24-11)8-12-3-2-4-13(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23)(H,25,26)/b6-5+
InChIKeyZZVIHFAMBUCZFZ-AATRIKPKSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide (CID 71082020) is (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide is Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)/C=C/c1cnc[nH]1.
What is the InChIKey of (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is ZZVIHFAMBUCZFZ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-11-17(25-15(26)6-5-14-9-22-10-23-14)27-16(24-11)8-12-3-2-4-13(7-12)18(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,23)(H,25,26)/b6-5+.
What are the key properties of (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide?
(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 392.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 71082020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).