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

C20H15N3O3S — CID 139497300

IUPACmethyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2ccnc(C(=O)c3c[nH]c4ccccc34)c2)n1
InChIInChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)9-12-6-7-21-16(8-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-8,10-11,22H,9H2,1H3
InChIKeyMZPWQWIUELGWMO-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.63
Rot. Bonds5

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

methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 139497300) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID139497300
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Namemethyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Cc2ccnc(C(=O)c3c[nH]c4ccccc34)c2)n1
InChIInChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)9-12-6-7-21-16(8-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-8,10-11,22H,9H2,1H3
InChIKeyMZPWQWIUELGWMO-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate (CID 139497300) is methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Cc2ccnc(C(=O)c3c[nH]c4ccccc34)c2)n1.
What is the InChIKey of methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is MZPWQWIUELGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-20(25)17-11-27-18(23-17)9-12-6-7-21-16(8-12)19(24)14-10-22-15-5-3-2-4-13(14)15/h2-8,10-11,22H,9H2,1H3.
What are the key properties of methyl 2-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[2-(1H-indole-3-carbonyl)-4-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-[[2-(1H-indole-3-carbonyl)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139497300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).