3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol

C15H19NO2S2 — CID 111542481

IUPAC3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCOc1ccccc1-c1nc(CSCC(C)CO)cs1
InChIInChI=1S/C15H19NO2S2/c1-11(7-17)8-19-9-12-10-20-15(16-12)13-5-3-4-6-14(13)18-2/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyWOVISBBNTWGRKL-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.68
Rot. Bonds7

About 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol

3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol (PubChem CID 111542481) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
PubChem CID111542481
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCOc1ccccc1-c1nc(CSCC(C)CO)cs1
InChIInChI=1S/C15H19NO2S2/c1-11(7-17)8-19-9-12-10-20-15(16-12)13-5-3-4-6-14(13)18-2/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyWOVISBBNTWGRKL-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propane-1,2-diol
CID 79682554
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110880723
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 55318268
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51824517

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol (CID 111542481) is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol is COc1ccccc1-c1nc(CSCC(C)CO)cs1.
What is the InChIKey of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is WOVISBBNTWGRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-11(7-17)8-19-9-12-10-20-15(16-12)13-5-3-4-6-14(13)18-2/h3-6,10-11,17H,7-9H2,1-2H3.
What are the key properties of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol?
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 309.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 111542481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).