(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide

C15H16N2OS — CID 160618025

IUPAC(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide
SMILESCc1nc(C)c(-c2ccc(C)c(/C=C/C(N)=O)c2)s1
InChIInChI=1S/C15H16N2OS/c1-9-4-5-13(8-12(9)6-7-14(16)18)15-10(2)17-11(3)19-15/h4-8H,1-3H3,(H2,16,18)/b7-6+
InChIKeyHMKMKZFDMCXTBS-VOTSOKGWSA-N
MW272.37 g/mol
LogP3.23
Rot. Bonds3

About (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide

(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide (PubChem CID 160618025) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide
PubChem CID160618025
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide
SMILESCc1nc(C)c(-c2ccc(C)c(/C=C/C(N)=O)c2)s1
InChIInChI=1S/C15H16N2OS/c1-9-4-5-13(8-12(9)6-7-14(16)18)15-10(2)17-11(3)19-15/h4-8H,1-3H3,(H2,16,18)/b7-6+
InChIKeyHMKMKZFDMCXTBS-VOTSOKGWSA-N
XLogP3.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide (CID 160618025) is (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide is Cc1nc(C)c(-c2ccc(C)c(/C=C/C(N)=O)c2)s1.
What is the InChIKey of (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide?
The InChIKey is HMKMKZFDMCXTBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-4-5-13(8-12(9)6-7-14(16)18)15-10(2)17-11(3)19-15/h4-8H,1-3H3,(H2,16,18)/b7-6+.
What are the key properties of (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide?
(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide has a molecular weight of 272.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide is sourced from PubChem (CID 160618025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).