methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate

C20H20N2O4S — CID 123132950

IUPACmethyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
SMILESCCOc1ccc(-c2nc(-c3ncccc3C(=O)OC)cs2)cc1OCC
InChIInChI=1S/C20H20N2O4S/c1-4-25-16-9-8-13(11-17(16)26-5-2)19-22-15(12-27-19)18-14(20(23)24-3)7-6-10-21-18/h6-12H,4-5H2,1-3H3
InChIKeySHCKWDNDMKWQDQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.46
Rot. Bonds7

About methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate

methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate (PubChem CID 123132950) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
PubChem CID123132950
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Namemethyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
SMILESCCOc1ccc(-c2nc(-c3ncccc3C(=O)OC)cs2)cc1OCC
InChIInChI=1S/C20H20N2O4S/c1-4-25-16-9-8-13(11-17(16)26-5-2)19-22-15(12-27-19)18-14(20(23)24-3)7-6-10-21-18/h6-12H,4-5H2,1-3H3
InChIKeySHCKWDNDMKWQDQ-UHFFFAOYSA-N
XLogP4.46
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
methoxymethyl 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-ethenyl-2-(methoxymethoxy)benzoate
CID 18707389
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-(2-methylprop-2-enyl)benzoic acid
CID 18707195
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid
CID 18707309
1-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-(3-ethoxy-2-pyridinyl)prop-2-en-1-one
CID 68709034
ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331532
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
CID 175274809
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
2-[3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propanoyl]-N,N-dimethylbenzamide
CID 68708005
1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
CID 61025839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate (CID 123132950) is methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate is CCOc1ccc(-c2nc(-c3ncccc3C(=O)OC)cs2)cc1OCC.
What is the InChIKey of methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate?
The InChIKey is SHCKWDNDMKWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-4-25-16-9-8-13(11-17(16)26-5-2)19-22-15(12-27-19)18-14(20(23)24-3)7-6-10-21-18/h6-12H,4-5H2,1-3H3.
What are the key properties of methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate?
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 123132950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).