(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide

C20H16N4OS — CID 166630944

IUPAC(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc3cc[nH]c3c2)s1
InChIInChI=1S/C20H16N4OS/c21-16-3-1-2-4-17(16)24-19(25)8-7-15-12-23-20(26-15)14-6-5-13-9-10-22-18(13)11-14/h1-12,22H,21H2,(H,24,25)/b8-7+
InChIKeyRSVNFRRFTRLZNG-BQYQJAHWSA-N
MW360.44 g/mol
LogP4.53
Rot. Bonds4

About (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166630944) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166630944
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc3cc[nH]c3c2)s1
InChIInChI=1S/C20H16N4OS/c21-16-3-1-2-4-17(16)24-19(25)8-7-15-12-23-20(26-15)14-6-5-13-9-10-22-18(13)11-14/h1-12,22H,21H2,(H,24,25)/b8-7+
InChIKeyRSVNFRRFTRLZNG-BQYQJAHWSA-N
XLogP4.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166630944) is (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc3cc[nH]c3c2)s1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is RSVNFRRFTRLZNG-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H16N4OS/c21-16-3-1-2-4-17(16)24-19(25)8-7-15-12-23-20(26-15)14-6-5-13-9-10-22-18(13)11-14/h1-12,22H,21H2,(H,24,25)/b8-7+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[2-(1H-indol-6-yl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166630944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).