(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C19H18N2OS2 — CID 24597134

IUPAC(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2csc(C)n2)c2cccs2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-5-7-15(8-6-13)19(17-4-3-11-23-17)21-18(22)10-9-16-12-24-14(2)20-16/h3-12,19H,1-2H3,(H,21,22)/b10-9+
InChIKeyMBMHSCXSYUAFSF-MDZDMXLPSA-N
MW354.50 g/mol
LogP4.74
Rot. Bonds5

About (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 24597134) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID24597134
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2csc(C)n2)c2cccs2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-5-7-15(8-6-13)19(17-4-3-11-23-17)21-18(22)10-9-16-12-24-14(2)20-16/h3-12,19H,1-2H3,(H,21,22)/b10-9+
InChIKeyMBMHSCXSYUAFSF-MDZDMXLPSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
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)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 24597134) is (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1ccc(C(NC(=O)/C=C/c2csc(C)n2)c2cccs2)cc1.
What is the InChIKey of (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is MBMHSCXSYUAFSF-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-13-5-7-15(8-6-13)19(17-4-3-11-23-17)21-18(22)10-9-16-12-24-14(2)20-16/h3-12,19H,1-2H3,(H,21,22)/b10-9+.
What are the key properties of (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 354.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 24597134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).