2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane

C13H16ClNOS — CID 145486679

IUPAC2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
SMILESCC.Cc1cccc(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClNOS.C2H6/c1-8-3-2-4-9(5-8)14-7-10-6-13-11(12)15-10;1-2/h2-6H,7H2,1H3;1-2H3
InChIKeyDKZMBQWUGRRXFH-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane

2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane (PubChem CID 145486679) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
PubChem CID145486679
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
SMILESCC.Cc1cccc(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClNOS.C2H6/c1-8-3-2-4-9(5-8)14-7-10-6-13-11(12)15-10;1-2/h2-6H,7H2,1H3;1-2H3
InChIKeyDKZMBQWUGRRXFH-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
methyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylpropanoate
CID 167986591
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82422772
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
2-chloro-5-[(3-methylphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 79770670
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane?
The IUPAC name of 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane (CID 145486679) is 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane.
What is the SMILES notation for 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane?
The canonical SMILES for 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane is CC.Cc1cccc(OCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane?
The InChIKey is DKZMBQWUGRRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS.C2H6/c1-8-3-2-4-9(5-8)14-7-10-6-13-11(12)15-10;1-2/h2-6H,7H2,1H3;1-2H3.
What are the key properties of 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane?
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane has a molecular weight of 269.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane is sourced from PubChem (CID 145486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).