ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate

C8H10N2O2S — CID 86748184

IUPACethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-2-12-7(11)3-4-9-8-10-5-6-13-8/h3-6H,2H2,1H3,(H,9,10)/b4-3+
InChIKeyWAYJQXFDSMQROS-ONEGZZNKSA-N
MW198.25 g/mol
LogP1.63
Rot. Bonds4

About ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate

ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate (PubChem CID 86748184) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate
PubChem CID86748184
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Nameethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-2-12-7(11)3-4-9-8-10-5-6-13-8/h3-6H,2H2,1H3,(H,9,10)/b4-3+
InChIKeyWAYJQXFDSMQROS-ONEGZZNKSA-N
XLogP1.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.63
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 4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 3119914
ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 2106440
ethane;ethyl (E)-3-(1,3-thiazol-2-yl)prop-2-enoate
CID 145121193
ethyl (2E,4E,6E)-7-(1,3-thiazol-2-yl)hepta-2,4,6-trienoate
CID 162647645
ethyl 3-(1,3-thiazol-2-yl)but-2-enoate
CID 171145623
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
CID 2264258
acetylene;propane;N-(1,3-thiazol-2-yl)formamide
CID 143752029
(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 131274999
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate
CID 70602263
methyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]thiophene-3-carboxylate
CID 134946572

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate (CID 86748184) is ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate is CCOC(=O)/C=C/Nc1nccs1.
What is the InChIKey of ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate?
The InChIKey is WAYJQXFDSMQROS-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-12-7(11)3-4-9-8-10-5-6-13-8/h3-6H,2H2,1H3,(H,9,10)/b4-3+.
What are the key properties of ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate?
ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate has a molecular weight of 198.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate is sourced from PubChem (CID 86748184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).