[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C19H18N2O3S — CID 2128941

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(Nc2nc(COC(=O)/C=C/c3ccc(C)o3)cs2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-3-6-15(7-4-13)20-19-21-16(12-25-19)11-23-18(22)10-9-17-8-5-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,20,21)/b10-9+
InChIKeyVHJRYYVFTVEOLT-MDZDMXLPSA-N
MW354.43 g/mol
LogP4.85
Rot. Bonds6

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 2128941) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID2128941
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(Nc2nc(COC(=O)/C=C/c3ccc(C)o3)cs2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-3-6-15(7-4-13)20-19-21-16(12-25-19)11-23-18(22)10-9-17-8-5-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,20,21)/b10-9+
InChIKeyVHJRYYVFTVEOLT-MDZDMXLPSA-N
XLogP4.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 2128941) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate is Cc1ccc(Nc2nc(COC(=O)/C=C/c3ccc(C)o3)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is VHJRYYVFTVEOLT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-3-6-15(7-4-13)20-19-21-16(12-25-19)11-23-18(22)10-9-17-8-5-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,20,21)/b10-9+.
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 354.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 2128941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).