ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

C16H16N2O2S — CID 58102335

IUPACethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1
InChIInChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3
InChIKeyHLTMJWPNNSIRHO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.63
Rot. Bonds4

About ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (PubChem CID 58102335) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
PubChem CID58102335
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Nameethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1
InChIInChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3
InChIKeyHLTMJWPNNSIRHO-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The IUPAC name of ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (CID 58102335) is ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is CCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1.
What is the InChIKey of ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The InChIKey is HLTMJWPNNSIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-5-4-11(2)8-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is sourced from PubChem (CID 58102335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).