4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole

C13H15NOS — CID 91170369

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole
SMILESCC(C)(C)Oc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H15NOS/c1-13(2,3)15-11-9-16-12(14-11)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyPTBHHEJPZFVCRW-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.99
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole

4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole (PubChem CID 91170369) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole
PubChem CID91170369
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole
SMILESCC(C)(C)Oc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H15NOS/c1-13(2,3)15-11-9-16-12(14-11)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyPTBHHEJPZFVCRW-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
4-(difluoromethoxy)-2-phenyl-1,3-thiazole
CID 91278052
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-phenyl-1,3-thiazol-4-ol
CID 568728
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid
CID 141139041
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
ethane;4-[4-(2-iodoethyl)phenyl]-2-phenyl-1,3-thiazole
CID 54249717
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole (CID 91170369) is 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole is CC(C)(C)Oc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole?
The InChIKey is PTBHHEJPZFVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-13(2,3)15-11-9-16-12(14-11)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole?
4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 91170369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).