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

C19H14N4O3S — CID 139497299

IUPACmethyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2cncc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-20-9-15(22-11)18(24)13-8-21-14-5-3-2-4-12(13)14/h2-5,7-10,21H,6H2,1H3
InChIKeyQLGXBKAMMNPKST-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.02
Rot. Bonds5

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

methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 139497299) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID139497299
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Namemethyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2cncc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-20-9-15(22-11)18(24)13-8-21-14-5-3-2-4-12(13)14/h2-5,7-10,21H,6H2,1H3
InChIKeyQLGXBKAMMNPKST-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate (CID 139497299) is methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Cc2cncc(C(=O)c3c[nH]c4ccccc34)n2)n1.
What is the InChIKey of methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QLGXBKAMMNPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-26-19(25)16-10-27-17(23-16)6-11-7-20-9-15(22-11)18(24)13-8-21-14-5-3-2-4-12(13)14/h2-5,7-10,21H,6H2,1H3.
What are the key properties of methyl 2-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[6-(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-[[6-(1H-indole-3-carbonyl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139497299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).