methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate

C15H11N3O2S2 — CID 71859102

IUPACmethyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C=Cc2cnc(-c3ccccn3)s2)s1
InChIInChI=1S/C15H11N3O2S2/c1-20-15(19)12-9-17-13(22-12)6-5-10-8-18-14(21-10)11-4-2-3-7-16-11/h2-9H,1H3
InChIKeyWVRLGAPZMSKMGL-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate

methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate (PubChem CID 71859102) has the molecular formula C15H11N3O2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
PubChem CID71859102
Molecular FormulaC15H11N3O2S2
Molecular Weight329.41 g/mol
Exact Mass329.03
IUPAC Namemethyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C=Cc2cnc(-c3ccccn3)s2)s1
InChIInChI=1S/C15H11N3O2S2/c1-20-15(19)12-9-17-13(22-12)6-5-10-8-18-14(21-10)11-4-2-3-7-16-11/h2-9H,1H3
InChIKeyWVRLGAPZMSKMGL-UHFFFAOYSA-N
XLogP3.62
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
CID 75535793
methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
CID 122136157
2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 167875600
methyl 2-(3-chloroprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169477395
methyl 2-(2-cyanoethenyl)-1,3-thiazole-5-carboxylate
CID 169483521
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350
(2S)-2-[3-[(E)-2-(5-methoxycarbonyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoic acid
CID 95156840
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130598615
methyl 2-[(E)-2-(4-cyano-3-methoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylate
CID 119051361

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate (CID 71859102) is methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C=Cc2cnc(-c3ccccn3)s2)s1.
What is the InChIKey of methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is WVRLGAPZMSKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S2/c1-20-15(19)12-9-17-13(22-12)6-5-10-8-18-14(21-10)11-4-2-3-7-16-11/h2-9H,1H3.
What are the key properties of methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate?
methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 329.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71859102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).