4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole

C16H19NO3S2 — CID 84590412

IUPAC4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole
SMILESCCOc1ccc(S(=O)Cc2csc(C3CCCO3)n2)cc1
InChIInChI=1S/C16H19NO3S2/c1-2-19-13-5-7-14(8-6-13)22(18)11-12-10-21-16(17-12)15-4-3-9-20-15/h5-8,10,15H,2-4,9,11H2,1H3
InChIKeyQYZORFUVTVVURD-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.70
Rot. Bonds6

About 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole

4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole (PubChem CID 84590412) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole
PubChem CID84590412
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole
SMILESCCOc1ccc(S(=O)Cc2csc(C3CCCO3)n2)cc1
InChIInChI=1S/C16H19NO3S2/c1-2-19-13-5-7-14(8-6-13)22(18)11-12-10-21-16(17-12)15-4-3-9-20-15/h5-8,10,15H,2-4,9,11H2,1H3
InChIKeyQYZORFUVTVVURD-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one
CID 99697259
2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole
CID 126768078
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 97320926
1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 75477705
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
CID 126774127
[2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 126774616
[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 99697878
N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 75518374

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole (CID 84590412) is 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole is CCOc1ccc(S(=O)Cc2csc(C3CCCO3)n2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole?
The InChIKey is QYZORFUVTVVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-2-19-13-5-7-14(8-6-13)22(18)11-12-10-21-16(17-12)15-4-3-9-20-15/h5-8,10,15H,2-4,9,11H2,1H3.
What are the key properties of 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole?
4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole has a molecular weight of 337.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 84590412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).