(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C21H19N3OS — CID 38748758

IUPAC(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2ccccc2N2CCc3ccccc32)cs1
InChIInChI=1S/C21H19N3OS/c1-15-22-17(14-26-15)10-11-21(25)23-18-7-3-5-9-20(18)24-13-12-16-6-2-4-8-19(16)24/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+
InChIKeyFNDVIMGDZNVXME-ZHACJKMWSA-N
MW361.47 g/mol
LogP4.80
Rot. Bonds4

About (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 38748758) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID38748758
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2ccccc2N2CCc3ccccc32)cs1
InChIInChI=1S/C21H19N3OS/c1-15-22-17(14-26-15)10-11-21(25)23-18-7-3-5-9-20(18)24-13-12-16-6-2-4-8-19(16)24/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+
InChIKeyFNDVIMGDZNVXME-ZHACJKMWSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.80
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-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 38748758) is (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)Nc2ccccc2N2CCc3ccccc32)cs1.
What is the InChIKey of (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is FNDVIMGDZNVXME-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-22-17(14-26-15)10-11-21(25)23-18-7-3-5-9-20(18)24-13-12-16-6-2-4-8-19(16)24/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+.
What are the key properties of (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 361.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 38748758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).