ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

C15H13ClN2O2S — CID 68753282

IUPACethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3
InChIKeyBCVYXCPXEVFRTL-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.43
Rot. Bonds3

About ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 68753282) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID68753282
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Nameethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3
InChIKeyBCVYXCPXEVFRTL-UHFFFAOYSA-N
XLogP4.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 68753282) is ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C.
What is the InChIKey of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BCVYXCPXEVFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 320.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68753282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).