2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate

C15H14N2O3S — CID 46609312

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
SMILESCc1csc(=O)n1CCOC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O3S/c1-10-9-21-15(19)17(10)6-7-20-14(18)12-8-16-13-5-3-2-4-11(12)13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGVPBFPWKOZGSJM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate (PubChem CID 46609312) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
PubChem CID46609312
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
SMILESCc1csc(=O)n1CCOC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O3S/c1-10-9-21-15(19)17(10)6-7-20-14(18)12-8-16-13-5-3-2-4-11(12)13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGVPBFPWKOZGSJM-UHFFFAOYSA-N
XLogP2.56
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9264646
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate
CID 47094352
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-nitroimidazol-1-yl]ethyl 1H-indole-3-carboxylate
CID 118713373
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 46827770
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7517339
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate (CID 46609312) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate is Cc1csc(=O)n1CCOC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate?
The InChIKey is GVPBFPWKOZGSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-9-21-15(19)17(10)6-7-20-14(18)12-8-16-13-5-3-2-4-11(12)13/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate is sourced from PubChem (CID 46609312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).