methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate

C15H16ClNO3S — CID 167986591

IUPACmethyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cccc(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO3S/c1-15(2,13(18)19-3)10-5-4-6-11(7-10)20-9-12-8-17-14(16)21-12/h4-8H,9H2,1-3H3
InChIKeyQOYALPRHZKZSQF-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.83
Rot. Bonds5

About methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate

methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate (PubChem CID 167986591) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate
PubChem CID167986591
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Namemethyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cccc(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO3S/c1-15(2,13(18)19-3)10-5-4-6-11(7-10)20-9-12-8-17-14(16)21-12/h4-8H,9H2,1-3H3
InChIKeyQOYALPRHZKZSQF-UHFFFAOYSA-N
XLogP3.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
N-[C-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-hydroxycarbonimidoyl]thiophene-2-carboxamide
CID 135400723
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
methyl 2-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-2-methylpropanoate
CID 154880807
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid
CID 116989106
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
CID 166187595
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
CID 168579725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate (CID 167986591) is methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1cccc(OCc2cnc(Cl)s2)c1.
What is the InChIKey of methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate?
The InChIKey is QOYALPRHZKZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-15(2,13(18)19-3)10-5-4-6-11(7-10)20-9-12-8-17-14(16)21-12/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate?
methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate has a molecular weight of 325.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate is sourced from PubChem (CID 167986591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).