2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole

C12H12ClNO2S — CID 69436904

IUPAC2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole
SMILESCC(C)Oc1ccc(Oc2nccs2)c(Cl)c1
InChIInChI=1S/C12H12ClNO2S/c1-8(2)15-9-3-4-11(10(13)7-9)16-12-14-5-6-17-12/h3-8H,1-2H3
InChIKeyBRMDHSFEUWXZHM-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.38
Rot. Bonds4

About 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole

2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole (PubChem CID 69436904) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole
PubChem CID69436904
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole
SMILESCC(C)Oc1ccc(Oc2nccs2)c(Cl)c1
InChIInChI=1S/C12H12ClNO2S/c1-8(2)15-9-3-4-11(10(13)7-9)16-12-14-5-6-17-12/h3-8H,1-2H3
InChIKeyBRMDHSFEUWXZHM-UHFFFAOYSA-N
XLogP4.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole?
The IUPAC name of 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole (CID 69436904) is 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole is CC(C)Oc1ccc(Oc2nccs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole?
The InChIKey is BRMDHSFEUWXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-8(2)15-9-3-4-11(10(13)7-9)16-12-14-5-6-17-12/h3-8H,1-2H3.
What are the key properties of 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole?
2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole has a molecular weight of 269.75 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-propan-2-yloxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 69436904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).