3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one

C14H17NOS — CID 165355559

IUPAC3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCc1ccc(-n2c(CC(C)C)csc2=O)cc1
InChIInChI=1S/C14H17NOS/c1-10(2)8-13-9-17-14(16)15(13)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyRZUNXPRGEOJGEL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.41
Rot. Bonds3

About 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one

3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one (PubChem CID 165355559) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one
PubChem CID165355559
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCc1ccc(-n2c(CC(C)C)csc2=O)cc1
InChIInChI=1S/C14H17NOS/c1-10(2)8-13-9-17-14(16)15(13)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyRZUNXPRGEOJGEL-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one (CID 165355559) is 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one is Cc1ccc(-n2c(CC(C)C)csc2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one?
The InChIKey is RZUNXPRGEOJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(2)8-13-9-17-14(16)15(13)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one?
3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one has a molecular weight of 247.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 165355559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).