ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate

C18H19N3O4S — CID 71706389

IUPACethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCn2ccc3c(OC)cccc32)n1
InChIInChI=1S/C18H19N3O4S/c1-3-25-17(23)13-11-26-18(19-13)20-16(22)8-10-21-9-7-12-14(21)5-4-6-15(12)24-2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,20,22)
InChIKeyIPUWPEOSBKSOAN-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.31
Rot. Bonds7

About ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 71706389) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate
PubChem CID71706389
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Nameethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCn2ccc3c(OC)cccc32)n1
InChIInChI=1S/C18H19N3O4S/c1-3-25-17(23)13-11-26-18(19-13)20-16(22)8-10-21-9-7-12-14(21)5-4-6-15(12)24-2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,20,22)
InChIKeyIPUWPEOSBKSOAN-UHFFFAOYSA-N
XLogP3.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52899420
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
CID 52897952
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 51205234
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
ethyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 112794508
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597
ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 51146279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate (CID 71706389) is ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CCn2ccc3c(OC)cccc32)n1.
What is the InChIKey of ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is IPUWPEOSBKSOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-25-17(23)13-11-26-18(19-13)20-16(22)8-10-21-9-7-12-14(21)5-4-6-15(12)24-2/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,20,22).
What are the key properties of ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71706389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).