ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

C17H15N3O4S2 — CID 11406624

IUPACethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2csc(C)n2)n1
InChIInChI=1S/C17H15N3O4S2/c1-4-24-17(22)13-8-26-15(20-13)10-5-6-11(16(21)23-3)19-14(10)12-7-25-9(2)18-12/h5-8H,4H2,1-3H3
InChIKeyVBPWMDYNSOMTBD-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.60
Rot. Bonds5

About ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (PubChem CID 11406624) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
PubChem CID11406624
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Nameethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2csc(C)n2)n1
InChIInChI=1S/C17H15N3O4S2/c1-4-24-17(22)13-8-26-15(20-13)10-5-6-11(16(21)23-3)19-14(10)12-7-25-9(2)18-12/h5-8H,4H2,1-3H3
InChIKeyVBPWMDYNSOMTBD-UHFFFAOYSA-N
XLogP3.60
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (CID 11406624) is ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2csc(C)n2)n1.
What is the InChIKey of ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is VBPWMDYNSOMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-4-24-17(22)13-8-26-15(20-13)10-5-6-11(16(21)23-3)19-14(10)12-7-25-9(2)18-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-methoxycarbonyl-2-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).