ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate

C18H20N2O2S — CID 71625210

IUPACethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
SMILESCCCNc1nc2c(s1)Cc1cc(/C=C/C(=O)OCC)ccc1-2
InChIInChI=1S/C18H20N2O2S/c1-3-9-19-18-20-17-14-7-5-12(6-8-16(21)22-4-2)10-13(14)11-15(17)23-18/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)/b8-6+
InChIKeyKJPONBWJZHPVOF-SOFGYWHQSA-N
MW328.44 g/mol
LogP4.11
Rot. Bonds6

About ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate

ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate (PubChem CID 71625210) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
PubChem CID71625210
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Nameethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
SMILESCCCNc1nc2c(s1)Cc1cc(/C=C/C(=O)OCC)ccc1-2
InChIInChI=1S/C18H20N2O2S/c1-3-9-19-18-20-17-14-7-5-12(6-8-16(21)22-4-2)10-13(14)11-15(17)23-18/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)/b8-6+
InChIKeyKJPONBWJZHPVOF-SOFGYWHQSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[2-(2,4-difluoroanilino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
CID 71625074
ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
CID 54234505
methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
CID 19261502
methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxycarbonylphenyl]benzoate
CID 10528197
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl 3-(2-amino-1,3-benzothiazol-6-yl)prop-2-enoate
CID 169480476
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-(1,3-dioxoisoindol-5-yl)prop-2-enoate
CID 169480926
ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate
CID 70185361
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate (CID 71625210) is ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate is CCCNc1nc2c(s1)Cc1cc(/C=C/C(=O)OCC)ccc1-2.
What is the InChIKey of ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate?
The InChIKey is KJPONBWJZHPVOF-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-9-19-18-20-17-14-7-5-12(6-8-16(21)22-4-2)10-13(14)11-15(17)23-18/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)/b8-6+.
What are the key properties of ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate?
ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate has a molecular weight of 328.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate is sourced from PubChem (CID 71625210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).