ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate

C15H18N2O2S2 — CID 80574154

IUPACethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H18N2O2S2/c1-3-19-14(18)8-11-9-21-15(16-11)17-6-4-13-12(10(17)2)5-7-20-13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyWOKPVTKVXKVHRR-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.43
Rot. Bonds4

About ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574154) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80574154
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Nameethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C15H18N2O2S2/c1-3-19-14(18)8-11-9-21-15(16-11)17-6-4-13-12(10(17)2)5-7-20-13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyWOKPVTKVXKVHRR-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574451
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate
CID 103610280
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396690
ethyl 2-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574460
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-2-carboxylic acid
CID 62239218
[6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridazin-3-yl]methanamine
CID 55054928
ethyl 2-[2-(3-oxo-1,2-benzothiazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 2328662
N-[[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767515
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate (CID 80574154) is ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N2CCc3sccc3C2C)n1.
What is the InChIKey of ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is WOKPVTKVXKVHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-3-19-14(18)8-11-9-21-15(16-11)17-6-4-13-12(10(17)2)5-7-20-13/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 322.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).