5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole

C13H15NOS — CID 112644779

IUPAC5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccccc1OCc1cncs1
InChIInChI=1S/C13H15NOS/c1-10(2)12-5-3-4-6-13(12)15-8-11-7-14-9-16-11/h3-7,9-10H,8H2,1-2H3
InChIKeyPXGQVPSEWQUECQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.85
Rot. Bonds4

About 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole

5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 112644779) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
PubChem CID112644779
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccccc1OCc1cncs1
InChIInChI=1S/C13H15NOS/c1-10(2)12-5-3-4-6-13(12)15-8-11-7-14-9-16-11/h3-7,9-10H,8H2,1-2H3
InChIKeyPXGQVPSEWQUECQ-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112640352
(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
CID 103953958
N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642679

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole (CID 112644779) is 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole is CC(C)c1ccccc1OCc1cncs1.
What is the InChIKey of 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is PXGQVPSEWQUECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10(2)12-5-3-4-6-13(12)15-8-11-7-14-9-16-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 112644779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).