methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate

C20H15N3O3S — CID 139570449

IUPACmethyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2ccc(C(=O)c3c[nH]c4ccccc34)nc2)n1
InChIInChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)8-12-6-7-16(21-9-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-7,9-11,22H,8H2,1H3
InChIKeyRTPGHHYACCODED-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 139570449) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID139570449
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Namemethyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2ccc(C(=O)c3c[nH]c4ccccc34)nc2)n1
InChIInChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)8-12-6-7-16(21-9-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-7,9-11,22H,8H2,1H3
InChIKeyRTPGHHYACCODED-UHFFFAOYSA-N
XLogP3.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
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
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-
CID 506354
[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-acetic acid ethyl ester
CID 10092094
3-[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-propionic acid methyl ester
CID 10092095
(2-Methyl-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10403930
Indolokine A5
CID 23651846
Indolokine A3
CID 156515665
methyl 2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
CID 85472329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate (CID 139570449) is methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Cc2ccc(C(=O)c3c[nH]c4ccccc34)nc2)n1.
What is the InChIKey of methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is RTPGHHYACCODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)8-12-6-7-16(21-9-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-7,9-11,22H,8H2,1H3.
What are the key properties of methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 377.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(1H-indole-3-carbonyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).