2-(4-propoxyphenoxy)-1,3-thiazole

C12H13NO2S — CID 175814412

IUPAC2-(4-propoxyphenoxy)-1,3-thiazole
SMILESCCCOc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C12H13NO2S/c1-2-8-14-10-3-5-11(6-4-10)15-12-13-7-9-16-12/h3-7,9H,2,8H2,1H3
InChIKeyBIWHBWASRHAVBT-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-propoxyphenoxy)-1,3-thiazole

2-(4-propoxyphenoxy)-1,3-thiazole (PubChem CID 175814412) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-1,3-thiazole
PubChem CID175814412
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-(4-propoxyphenoxy)-1,3-thiazole
SMILESCCCOc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C12H13NO2S/c1-2-8-14-10-3-5-11(6-4-10)15-12-13-7-9-16-12/h3-7,9H,2,8H2,1H3
InChIKeyBIWHBWASRHAVBT-UHFFFAOYSA-N
XLogP3.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 12785117
2-butoxy-1,3-thiazole;propane
CID 143891119
4-propoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656225
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
2-(3,4-dimethoxyphenoxy)-1,3-thiazole
CID 141204086
4-(1,3-thiazol-2-yloxy)benzene-1,2-diamine
CID 21482771
4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
CID 57451678
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150439
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-1,3-thiazole?
The IUPAC name of 2-(4-propoxyphenoxy)-1,3-thiazole (CID 175814412) is 2-(4-propoxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(4-propoxyphenoxy)-1,3-thiazole?
The canonical SMILES for 2-(4-propoxyphenoxy)-1,3-thiazole is CCCOc1ccc(Oc2nccs2)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)-1,3-thiazole?
The InChIKey is BIWHBWASRHAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-2-8-14-10-3-5-11(6-4-10)15-12-13-7-9-16-12/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-(4-propoxyphenoxy)-1,3-thiazole?
2-(4-propoxyphenoxy)-1,3-thiazole has a molecular weight of 235.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 175814412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).