prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate

C12H11N3O2S — CID 146351739

IUPACprop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESC=CCOC(=O)c1csc(-c2cccc(N)n2)n1
InChIInChI=1S/C12H11N3O2S/c1-2-6-17-12(16)9-7-18-11(15-9)8-4-3-5-10(13)14-8/h2-5,7H,1,6H2,(H2,13,14)
InChIKeyJDCLDPNPFRHWIS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.13
Rot. Bonds4

About prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate

prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 146351739) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID146351739
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Nameprop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESC=CCOC(=O)c1csc(-c2cccc(N)n2)n1
InChIInChI=1S/C12H11N3O2S/c1-2-6-17-12(16)9-7-18-11(15-9)8-4-3-5-10(13)14-8/h2-5,7H,1,6H2,(H2,13,14)
InChIKeyJDCLDPNPFRHWIS-UHFFFAOYSA-N
XLogP2.13
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
prop-2-enyl 2-[8-(4-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)octyl]-1,3-thiazole-4-carboxylate
CID 177386754
2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 146351533
6-(4-methylsulfanyl-1,3-thiazol-2-yl)pyridin-2-amine
CID 147670302
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135989
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
CID 174430206
prop-2-enyl 2-chloro-1,3-oxazole-4-carboxylate
CID 67547724
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate (CID 146351739) is prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate is C=CCOC(=O)c1csc(-c2cccc(N)n2)n1.
What is the InChIKey of prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is JDCLDPNPFRHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-6-17-12(16)9-7-18-11(15-9)8-4-3-5-10(13)14-8/h2-5,7H,1,6H2,(H2,13,14).
What are the key properties of prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate?
prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 261.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 146351739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).