propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate

C9H13NO2S — CID 91226851

IUPACpropan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCc1cnc(C(=O)OC(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-4-7-5-10-8(13-7)9(11)12-6(2)3/h5-6H,4H2,1-3H3
InChIKeyLONXWBNRVOJCFH-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.27
Rot. Bonds3

About propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate

propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate (PubChem CID 91226851) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
PubChem CID91226851
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Namepropan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCc1cnc(C(=O)OC(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-4-7-5-10-8(13-7)9(11)12-6(2)3/h5-6H,4H2,1-3H3
InChIKeyLONXWBNRVOJCFH-UHFFFAOYSA-N
XLogP2.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-ethyl-1,3-thiazole-2-carboxylate
CID 20775037
Ethyl 5-(bromomethyl)thiazole-2-carboxylate
CID 49757954
Ethyl 5-(chloromethyl)-1,3-thiazole-2-carboxylate
CID 65577036
Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
Lithium(1+) ion 5-ethyl-1,3-thiazole-2-carboxylate
CID 75480690
Dilithium 5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
CID 67315404
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate
CID 68586933
Ethyl 5-(difluoromethyl)thiazole-2-carboxylate
CID 132091542
Methyl 5-(2-methoxy-2-oxoethyl)-1,3-thiazole-2-carboxylate
CID 138970981
5-(2-Fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
CID 84771009
5-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid
CID 84772561
Methyl 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915900

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate?
The IUPAC name of propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate (CID 91226851) is propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate is CCc1cnc(C(=O)OC(C)C)s1.
What is the InChIKey of propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate?
The InChIKey is LONXWBNRVOJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-7-5-10-8(13-7)9(11)12-6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate?
propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 91226851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).