(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one

C15H12N2OS — CID 166225115

IUPAC(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)/C=C/c1cncs1
InChIInChI=1S/C15H12N2OS/c1-10-15(12-4-2-3-5-13(12)17-10)14(18)7-6-11-8-16-9-19-11/h2-9,17H,1H3/b7-6+
InChIKeyCPTKOANJKGPAFV-VOTSOKGWSA-N
MW268.34 g/mol
LogP3.83
Rot. Bonds3

About (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one

(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 166225115) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID166225115
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)/C=C/c1cncs1
InChIInChI=1S/C15H12N2OS/c1-10-15(12-4-2-3-5-13(12)17-10)14(18)7-6-11-8-16-9-19-11/h2-9,17H,1H3/b7-6+
InChIKeyCPTKOANJKGPAFV-VOTSOKGWSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.83
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)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one (CID 166225115) is (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cncs1.
What is the InChIKey of (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is CPTKOANJKGPAFV-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-15(12-4-2-3-5-13(12)17-10)14(18)7-6-11-8-16-9-19-11/h2-9,17H,1H3/b7-6+.
What are the key properties of (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one?
(E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 268.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methyl-1H-indol-3-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 166225115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).