5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide

C18H21N3O2S — CID 110504039

IUPAC5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ncc(C)s1)n2CC
InChIInChI=1S/C18H21N3O2S/c1-5-21-15-8-7-13(23-6-2)9-14(15)12(4)16(21)17(22)20-18-19-10-11(3)24-18/h7-10H,5-6H2,1-4H3,(H,19,20,22)
InChIKeyDDSBEBBKSAURTJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.39
Rot. Bonds5

About 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide

5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide (PubChem CID 110504039) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
PubChem CID110504039
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ncc(C)s1)n2CC
InChIInChI=1S/C18H21N3O2S/c1-5-21-15-8-7-13(23-6-2)9-14(15)12(4)16(21)17(22)20-18-19-10-11(3)24-18/h7-10H,5-6H2,1-4H3,(H,19,20,22)
InChIKeyDDSBEBBKSAURTJ-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylindole-2-carboxamide
CID 110503964
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
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972
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-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide (CID 110504039) is 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ncc(C)s1)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide?
The InChIKey is DDSBEBBKSAURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-5-21-15-8-7-13(23-6-2)9-14(15)12(4)16(21)17(22)20-18-19-10-11(3)24-18/h7-10H,5-6H2,1-4H3,(H,19,20,22).
What are the key properties of 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide?
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide is sourced from PubChem (CID 110504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).