ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

C16H15N3O3S — CID 71702427

IUPACethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccc3c2ccn3C)n1
InChIInChI=1S/C16H15N3O3S/c1-3-22-15(21)12-9-23-16(17-12)18-14(20)11-5-4-6-13-10(11)7-8-19(13)2/h4-9H,3H2,1-2H3,(H,17,18,20)
InChIKeyGOYYBIAQRNWKSP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 71702427) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID71702427
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccc3c2ccn3C)n1
InChIInChI=1S/C16H15N3O3S/c1-3-22-15(21)12-9-23-16(17-12)18-14(20)11-5-4-6-13-10(11)7-8-19(13)2/h4-9H,3H2,1-2H3,(H,17,18,20)
InChIKeyGOYYBIAQRNWKSP-UHFFFAOYSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 71706389
ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 55354839
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51146296
ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55333477
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
ethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 112794499
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 71702427) is ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cccc3c2ccn3C)n1.
What is the InChIKey of ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GOYYBIAQRNWKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-15(21)12-9-23-16(17-12)18-14(20)11-5-4-6-13-10(11)7-8-19(13)2/h4-9H,3H2,1-2H3,(H,17,18,20).
What are the key properties of ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71702427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).