ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate

C17H18N4O3S — CID 1388374

IUPACethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CNc1nccs1
InChIInChI=1S/C17H18N4O3S/c1-3-24-16(23)15-14(11-8-10(2)4-5-12(11)20-15)21-13(22)9-19-17-18-6-7-25-17/h4-8,20H,3,9H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyKQEKDTLRBWEOKA-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.16
Rot. Bonds6

About ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate

ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate (PubChem CID 1388374) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
PubChem CID1388374
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Nameethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CNc1nccs1
InChIInChI=1S/C17H18N4O3S/c1-3-24-16(23)15-14(11-8-10(2)4-5-12(11)20-15)21-13(22)9-19-17-18-6-7-25-17/h4-8,20H,3,9H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyKQEKDTLRBWEOKA-UHFFFAOYSA-N
XLogP3.16
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate with MolForge

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Related Compounds

[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate
CID 6944323
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694148
[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 6954169
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
methyl 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 7380780
ethyl 5-ethoxy-3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 3900647
N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone;hydroiodide
CID 44655353
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate (CID 1388374) is ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CNc1nccs1.
What is the InChIKey of ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate?
The InChIKey is KQEKDTLRBWEOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-24-16(23)15-14(11-8-10(2)4-5-12(11)20-15)21-13(22)9-19-17-18-6-7-25-17/h4-8,20H,3,9H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate?
ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 1388374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).