4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

C18H18N2OS2 — CID 112815538

IUPAC4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCCOc1ccccc1CSCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N2OS2/c1-2-21-17-9-4-3-7-14(17)11-22-12-15-13-23-18(20-15)16-8-5-6-10-19-16/h3-10,13H,2,11-12H2,1H3
InChIKeyKMEJJMUEXVZXDQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.04
Rot. Bonds7

About 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 112815538) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID112815538
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCCOc1ccccc1CSCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N2OS2/c1-2-21-17-9-4-3-7-14(17)11-22-12-15-13-23-18(20-15)16-8-5-6-10-19-16/h3-10,13H,2,11-12H2,1H3
InChIKeyKMEJJMUEXVZXDQ-UHFFFAOYSA-N
XLogP5.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 86795571
N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563479
4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
CID 75435208
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
1-(butylsulfanylmethyl)-2-ethoxybenzene
CID 112781326

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (CID 112815538) is 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is CCOc1ccccc1CSCc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is KMEJJMUEXVZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-2-21-17-9-4-3-7-14(17)11-22-12-15-13-23-18(20-15)16-8-5-6-10-19-16/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 342.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 112815538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).