methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate

C16H18ClNO3S — CID 19611405

IUPACmethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(OCc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C16H18ClNO3S/c1-16(2,3)13-9-22-14(18-13)8-21-12-6-10(15(19)20-4)5-11(17)7-12/h5-7,9H,8H2,1-4H3
InChIKeyIKMPCBYPLJRWGC-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.46
Rot. Bonds4

About methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate

methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate (PubChem CID 19611405) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate
PubChem CID19611405
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Namemethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(OCc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C16H18ClNO3S/c1-16(2,3)13-9-22-14(18-13)8-21-12-6-10(15(19)20-4)5-11(17)7-12/h5-7,9H,8H2,1-4H3
InChIKeyIKMPCBYPLJRWGC-UHFFFAOYSA-N
XLogP4.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate 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-chloro-5-phenylmethoxybenzoate
CID 70086004
2-[2-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoyl]amino]-4-[3-(4-chlorophenyl)sulfonylpropyl]phenoxy]acetic acid
CID 54418544
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 27264242
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
CID 103816184
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxybutan-2-one
CID 79819953
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
(4-tert-butyl-1,3-thiazol-2-yl)methyl 3-amino-2-chlorobenzoate
CID 115936143
5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 106956080

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate?
The IUPAC name of methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate (CID 19611405) is methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate.
What is the SMILES notation for methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate?
The canonical SMILES for methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate is COC(=O)c1cc(Cl)cc(OCc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate?
The InChIKey is IKMPCBYPLJRWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-16(2,3)13-9-22-14(18-13)8-21-12-6-10(15(19)20-4)5-11(17)7-12/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate?
methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate has a molecular weight of 339.84 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate is sourced from PubChem (CID 19611405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).