methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate

C19H14N4O3S — CID 139570412

IUPACmethyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2cnc(C(=O)c3c[nH]c4ccccc34)cn2)n1
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-21-15(9-20-11)18(24)13-8-22-14-5-3-2-4-12(13)14/h2-5,7-10,22H,6H2,1H3
InChIKeySBGAHCGJGXQGCU-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.02
Rot. Bonds5

About methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 139570412) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID139570412
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Namemethyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2cnc(C(=O)c3c[nH]c4ccccc34)cn2)n1
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-21-15(9-20-11)18(24)13-8-22-14-5-3-2-4-12(13)14/h2-5,7-10,22H,6H2,1H3
InChIKeySBGAHCGJGXQGCU-UHFFFAOYSA-N
XLogP3.02
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
Indothiazinone
CID 69252541
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517533
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
Indolokine A5
CID 23651846
Indolokine A3
CID 156515665
methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]propanoate
CID 11271469
ethyl 2-[(1S)-2-methyl-1-(quinoline-3-carbonylamino)propyl]-1,3-thiazole-4-carboxylate
CID 90676942
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
2-(5-fluoro-1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147680873

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate (CID 139570412) is methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Cc2cnc(C(=O)c3c[nH]c4ccccc34)cn2)n1.
What is the InChIKey of methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SBGAHCGJGXQGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-21-15(9-20-11)18(24)13-8-22-14-5-3-2-4-12(13)14/h2-5,7-10,22H,6H2,1H3.
What are the key properties of methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 378.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139570412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).