methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

C18H19N3O4S — CID 71701299

IUPACmethyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOCCn1ccc2c(C(=O)Nc3nc(C(=O)OC)c(C)s3)cccc21
InChIInChI=1S/C18H19N3O4S/c1-11-15(17(23)25-3)19-18(26-11)20-16(22)13-5-4-6-14-12(13)7-8-21(14)9-10-24-2/h4-8H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyJQLBXMOCQSJJAQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.09
Rot. Bonds6

About methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 71701299) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID71701299
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namemethyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOCCn1ccc2c(C(=O)Nc3nc(C(=O)OC)c(C)s3)cccc21
InChIInChI=1S/C18H19N3O4S/c1-11-15(17(23)25-3)19-18(26-11)20-16(22)13-5-4-6-14-12(13)7-8-21(14)9-10-24-2/h4-8H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyJQLBXMOCQSJJAQ-UHFFFAOYSA-N
XLogP3.09
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 71701299) is methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is COCCn1ccc2c(C(=O)Nc3nc(C(=O)OC)c(C)s3)cccc21.
What is the InChIKey of methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JQLBXMOCQSJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-15(17(23)25-3)19-18(26-11)20-16(22)13-5-4-6-14-12(13)7-8-21(14)9-10-24-2/h4-8H,9-10H2,1-3H3,(H,19,20,22).
What are the key properties of methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71701299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).