2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

C21H17N3OS — CID 88883711

IUPAC2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H17N3OS/c1-14(20(25)24-21-23-11-12-26-21)19(15-5-3-2-4-6-15)17-7-8-18-16(13-17)9-10-22-18/h2-13,19,22H,1H2,(H,23,24,25)
InChIKeyQNGREUKJTIYCFM-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.95
Rot. Bonds5

About 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 88883711) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID88883711
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H17N3OS/c1-14(20(25)24-21-23-11-12-26-21)19(15-5-3-2-4-6-15)17-7-8-18-16(13-17)9-10-22-18/h2-13,19,22H,1H2,(H,23,24,25)
InChIKeyQNGREUKJTIYCFM-UHFFFAOYSA-N
XLogP4.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
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 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 88883711) is 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide is C=C(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is QNGREUKJTIYCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14(20(25)24-21-23-11-12-26-21)19(15-5-3-2-4-6-15)17-7-8-18-16(13-17)9-10-22-18/h2-13,19,22H,1H2,(H,23,24,25).
What are the key properties of 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 359.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-5-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 88883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).