propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C14H17NO4S — CID 139819560

IUPACpropan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)Cc1csc2c(C(=O)OC(C)C)ccn12
InChIInChI=1S/C14H17NO4S/c1-4-18-12(16)7-10-8-20-13-11(5-6-15(10)13)14(17)19-9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDXEFNKPMOFDOIR-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.67
Rot. Bonds5

About propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139819560) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139819560
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Namepropan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)Cc1csc2c(C(=O)OC(C)C)ccn12
InChIInChI=1S/C14H17NO4S/c1-4-18-12(16)7-10-8-20-13-11(5-6-15(10)13)14(17)19-9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDXEFNKPMOFDOIR-UHFFFAOYSA-N
XLogP2.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819534
2-(6-methyl-7-propan-2-yloxycarbonylpyrrolo[2,1-b][1,3]thiazol-3-yl)acetic acid
CID 139819538
ethyl 3-(2-ethoxy-2-oxoethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 16784918
propan-2-yl 4-amino-5-ethylthiophene-3-carboxylate
CID 13286152
propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate
CID 64695545
ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464947
propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074
2-[4-(2-ethoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 14047640
ethyl 2-(3,4-difluorothiophen-2-yl)acetate
CID 70546503
ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
CID 90387563

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139819560) is propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CCOC(=O)Cc1csc2c(C(=O)OC(C)C)ccn12.
What is the InChIKey of propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is DXEFNKPMOFDOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-4-18-12(16)7-10-8-20-13-11(5-6-15(10)13)14(17)19-9(2)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139819560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).