methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate

C16H16ClNO4S — CID 145096613

IUPACmethyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(OCC2CCOC2)cc(-c2ncc(Cl)s2)c1
InChIInChI=1S/C16H16ClNO4S/c1-20-16(19)12-4-11(15-18-7-14(17)23-15)5-13(6-12)22-9-10-2-3-21-8-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyWRSDJZJOMJLJGI-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.67
Rot. Bonds5

About methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate

methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate (PubChem CID 145096613) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate
PubChem CID145096613
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Namemethyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(OCC2CCOC2)cc(-c2ncc(Cl)s2)c1
InChIInChI=1S/C16H16ClNO4S/c1-20-16(19)12-4-11(15-18-7-14(17)23-15)5-13(6-12)22-9-10-2-3-21-8-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyWRSDJZJOMJLJGI-UHFFFAOYSA-N
XLogP3.67
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzoate
CID 121397546
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]benzamide
CID 121397127
methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzoate
CID 121397743
N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide
CID 121397221
methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate
CID 121397853
3-(5-ethyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
CID 145096560
3-(5-chloro-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzoic acid
CID 121397311
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 146501360
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[[(3R)-oxolan-3-yl]methoxy]benzamide
CID 134328303
3-(5-cyclobutyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 121397161
3-(5-cyclobutyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 121397719
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 146501372

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate?
The IUPAC name of methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate (CID 145096613) is methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate.
What is the SMILES notation for methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate?
The canonical SMILES for methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate is COC(=O)c1cc(OCC2CCOC2)cc(-c2ncc(Cl)s2)c1.
What is the InChIKey of methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate?
The InChIKey is WRSDJZJOMJLJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-20-16(19)12-4-11(15-18-7-14(17)23-15)5-13(6-12)22-9-10-2-3-21-8-10/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate?
methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate has a molecular weight of 353.83 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate is sourced from PubChem (CID 145096613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).