5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide

C18H22N4O3S — CID 110503964

IUPAC5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1nnc(COC)s1)n2CC
InChIInChI=1S/C18H22N4O3S/c1-5-22-14-8-7-12(25-6-2)9-13(14)11(3)16(22)17(23)19-18-21-20-15(26-18)10-24-4/h7-9H,5-6,10H2,1-4H3,(H,19,21,23)
InChIKeyOZSJSCKNJZERRL-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.62
Rot. Bonds7

About 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide

5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide (PubChem CID 110503964) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide
PubChem CID110503964
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1nnc(COC)s1)n2CC
InChIInChI=1S/C18H22N4O3S/c1-5-22-14-8-7-12(25-6-2)9-13(14)11(3)16(22)17(23)19-18-21-20-15(26-18)10-24-4/h7-9H,5-6,10H2,1-4H3,(H,19,21,23)
InChIKeyOZSJSCKNJZERRL-UHFFFAOYSA-N
XLogP3.62
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
ethyl 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 110504013
5-ethoxy-1-ethyl-3-methyl-N-(3-propoxy-2-pyridinyl)indole-2-carboxamide
CID 110504048
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide (CID 110503964) is 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1nnc(COC)s1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide?
The InChIKey is OZSJSCKNJZERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-5-22-14-8-7-12(25-6-2)9-13(14)11(3)16(22)17(23)19-18-21-20-15(26-18)10-24-4/h7-9H,5-6,10H2,1-4H3,(H,19,21,23).
What are the key properties of 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide?
5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide is sourced from PubChem (CID 110503964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).