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

C14H10N2O3S — CID 4668801

IUPACmethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
InChIKeyKDDXOGDIPZSCTM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.64
Rot. Bonds3

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

methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 4668801) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
PubChem CID4668801
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
InChIKeyKDDXOGDIPZSCTM-UHFFFAOYSA-N
XLogP2.64
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Indothiazinone
CID 69252541
ITE-CONHMe
CID 118656024
1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-methylthiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506353
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211
[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-acetic acid ethyl ester
CID 10092094
2-(diaminomethylideneamino)ethyl 4-(1H-indol-3-yl)-1,3-thiazole-2-carboxylate
CID 44324853
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
Indolokine A5
CID 23651846
[3-(Thiophene-2-carbonyl)-indol-1-yl]-acetic acid methyl ester
CID 651909
Indolokine A3
CID 156515665
1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
CID 912988
ethyl 2-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]thiazole-4-carboxylate
CID 135878420

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (CID 4668801) is methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KDDXOGDIPZSCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3.
What are the key properties of methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4668801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).