[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

C19H23N3O3S — CID 71901556

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate
SMILESCc1cc(C=CC(=O)OCC(=O)NC2CCCC2)c(C)n1-c1nccs1
InChIInChI=1S/C19H23N3O3S/c1-13-11-15(14(2)22(13)19-20-9-10-26-19)7-8-18(24)25-12-17(23)21-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23)
InChIKeyQAOIKNPKYXKJIN-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.17
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate (PubChem CID 71901556) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate
PubChem CID71901556
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate
SMILESCc1cc(C=CC(=O)OCC(=O)NC2CCCC2)c(C)n1-c1nccs1
InChIInChI=1S/C19H23N3O3S/c1-13-11-15(14(2)22(13)19-20-9-10-26-19)7-8-18(24)25-12-17(23)21-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23)
InChIKeyQAOIKNPKYXKJIN-UHFFFAOYSA-N
XLogP3.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyanophenyl)methyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate
CID 46659800
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate
CID 27193783
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium
CID 8909636
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8605184
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953346
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4803375
2-[4-[(E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoyl]-2-methoxyphenoxy]acetate
CID 9033299
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8605021
2-(2,5-dimethylphenoxy)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]acetamide
CID 9217666
[2-(cyclopentylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 5111073
2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119388980
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 7913354

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate (CID 71901556) is [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate is Cc1cc(C=CC(=O)OCC(=O)NC2CCCC2)c(C)n1-c1nccs1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate?
The InChIKey is QAOIKNPKYXKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-11-15(14(2)22(13)19-20-9-10-26-19)7-8-18(24)25-12-17(23)21-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate has a molecular weight of 373.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate is sourced from PubChem (CID 71901556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).