ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate

C12H17NO2S — CID 129076391

IUPACethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate
SMILESC=C(C)c1sc(CCC)nc1C(=O)OCC
InChIInChI=1S/C12H17NO2S/c1-5-7-9-13-10(12(14)15-6-2)11(16-9)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyCPFTXXLZYGUGFJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate

ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate (PubChem CID 129076391) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate
PubChem CID129076391
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate
SMILESC=C(C)c1sc(CCC)nc1C(=O)OCC
InChIInChI=1S/C12H17NO2S/c1-5-7-9-13-10(12(14)15-6-2)11(16-9)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyCPFTXXLZYGUGFJ-UHFFFAOYSA-N
XLogP3.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11390631, Example 453
CID 126482693
Ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 50998908
Methyl 2-[acetyloxy(cyclopropyl)methyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 135000172
Ethyl 2-bromo-5-prop-2-enyl-1,3-thiazole-4-carboxylate
CID 10516565
Methyl 5-ethyl-2-methylthiazole-4-carboxylate
CID 4275287
Methyl 2,5-diethyl-1,3-thiazole-4-carboxylate
CID 10559920
Ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
2-Methyl-4-ethoxycarbonyl-5-(3-ethoxycarbonyl-propyl)-thiazole
CID 20334088
Methyl 2-tert-butyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 20627943
Ethyl 5-ethyl-2-methylthiazole-4-carboxylate
CID 45117612
2-Bromo-5-isopropylthiazole-4-carboxylic acid ethyl ester
CID 57953948
Ethyl 2-methyl-5-(1-methylethyl)-1,3-thiazole-4-carboxylate
CID 58356351

Frequently Asked Questions

What is the IUPAC name of ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate (CID 129076391) is ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate is C=C(C)c1sc(CCC)nc1C(=O)OCC.
What is the InChIKey of ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate?
The InChIKey is CPFTXXLZYGUGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-5-7-9-13-10(12(14)15-6-2)11(16-9)8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate?
ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 129076391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).