4-(4-butylphenyl)-3H-1,3-thiazol-2-one

C13H15NOS — CID 82082872

IUPAC4-(4-butylphenyl)-3H-1,3-thiazol-2-one
SMILESCCCCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H15NOS/c1-2-3-4-10-5-7-11(8-6-10)12-9-16-13(15)14-12/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyWXBLHPDQPWSEHZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-butylphenyl)-3H-1,3-thiazol-2-one

4-(4-butylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 82082872) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(4-butylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-butylphenyl)-3H-1,3-thiazol-2-one
PubChem CID82082872
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(4-butylphenyl)-3H-1,3-thiazol-2-one
SMILESCCCCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H15NOS/c1-2-3-4-10-5-7-11(8-6-10)12-9-16-13(15)14-12/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyWXBLHPDQPWSEHZ-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propylphenyl)-3H-1,3-thiazol-2-one
CID 43286737
4,5-bis(4-butylphenyl)cyclopent-4-ene-1,2,3-trione
CID 132941130
1-butyl-4-(4-butylphenyl)sulfinylbenzene
CID 67534352
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one
CID 116966086
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-butylphenyl)-3H-1,3-thiazol-2-one (CID 82082872) is 4-(4-butylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-butylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-butylphenyl)-3H-1,3-thiazol-2-one is CCCCc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is WXBLHPDQPWSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-3-4-10-5-7-11(8-6-10)12-9-16-13(15)14-12/h5-9H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(4-butylphenyl)-3H-1,3-thiazol-2-one?
4-(4-butylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 233.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 82082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).