(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide

C21H20N2OS — CID 108760126

IUPAC(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1nc(C(C)NC(=O)/C(=C\c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H20N2OS/c1-15(20-14-25-16(2)23-20)22-21(24)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,22,24)/b19-13-
InChIKeyGYJHIADFJRYERB-UYRXBGFRSA-N
MW348.47 g/mol
LogP4.87
Rot. Bonds5

About (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide

(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide (PubChem CID 108760126) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
PubChem CID108760126
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1nc(C(C)NC(=O)/C(=C\c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H20N2OS/c1-15(20-14-25-16(2)23-20)22-21(24)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,22,24)/b19-13-
InChIKeyGYJHIADFJRYERB-UYRXBGFRSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide (CID 108760126) is (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide is Cc1nc(C(C)NC(=O)/C(=C\c2ccccc2)c2ccccc2)cs1.
What is the InChIKey of (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide?
The InChIKey is GYJHIADFJRYERB-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15(20-14-25-16(2)23-20)22-21(24)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,22,24)/b19-13-.
What are the key properties of (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide has a molecular weight of 348.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 108760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).