methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

C16H14N2O3S — CID 159987848

IUPACmethyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OC
InChIInChI=1S/C16H14N2O3S/c1-3-12-13(16(20)21-2)18-15(22-12)14(19)10-8-17-11-7-5-4-6-9(10)11/h4-8,17H,3H2,1-2H3
InChIKeyXLEBBTQCPFCUAS-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.20
Rot. Bonds4

About methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 159987848) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
PubChem CID159987848
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namemethyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OC
InChIInChI=1S/C16H14N2O3S/c1-3-12-13(16(20)21-2)18-15(22-12)14(19)10-8-17-11-7-5-4-6-9(10)11/h4-8,17H,3H2,1-2H3
InChIKeyXLEBBTQCPFCUAS-UHFFFAOYSA-N
XLogP3.20
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
CID 159302887
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (CID 159987848) is methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is CCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The InChIKey is XLEBBTQCPFCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-3-12-13(16(20)21-2)18-15(22-12)14(19)10-8-17-11-7-5-4-6-9(10)11/h4-8,17H,3H2,1-2H3.
What are the key properties of methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159987848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).