2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole

C13H14ClNOS — CID 79764739

IUPAC2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(C)c(C)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H14ClNOS/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-15-13(14)17-11/h4-6H,7H2,1-3H3
InChIKeyTWYXWTQIOACNNO-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.30
Rot. Bonds3

About 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole

2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole (PubChem CID 79764739) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
PubChem CID79764739
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(C)c(C)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H14ClNOS/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-15-13(14)17-11/h4-6H,7H2,1-3H3
InChIKeyTWYXWTQIOACNNO-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
N-propyl-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775251
2-[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82424135
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
CID 62471218
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
[3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 114218113
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole (CID 79764739) is 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole is Cc1cc(C)c(C)c(OCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole?
The InChIKey is TWYXWTQIOACNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-15-13(14)17-11/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).