ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate

C10H12N2O3S — CID 43622982

IUPACethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
SMILESC=CC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C10H12N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyKUPFDNIRVQVZNJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.37
Rot. Bonds5

About ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43622982) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43622982
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
SMILESC=CC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C10H12N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyKUPFDNIRVQVZNJ-UHFFFAOYSA-N
XLogP1.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.37
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 2-[2-(4,4-dimethylpent-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 72689772
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
(Z)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 2323320
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
ethyl 2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43422829
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180861
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate (CID 43622982) is ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate is C=CC(=O)Nc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is KUPFDNIRVQVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13).
What are the key properties of ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 240.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43622982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).