1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

C18H23NOS — CID 105118402

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCCc2ccccc2)n1
InChIInChI=1S/C18H23NOS/c1-18(2,3)16-13-21-17(19-16)12-15(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyXSFOLCQTCDWNOK-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (PubChem CID 105118402) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
PubChem CID105118402
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCCc2ccccc2)n1
InChIInChI=1S/C18H23NOS/c1-18(2,3)16-13-21-17(19-16)12-15(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyXSFOLCQTCDWNOK-UHFFFAOYSA-N
XLogP4.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxypentan-2-one
CID 79820419
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-one
CID 105118447
6-bromo-1-(4-tert-butyl-1,3-thiazol-2-yl)hexan-3-one
CID 106798825
3-(benzenesulfonyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 58198639
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)propan-2-one
CID 79827680

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (CID 105118402) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is CC(C)(C)c1csc(CC(=O)CCCc2ccccc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The InChIKey is XSFOLCQTCDWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-18(2,3)16-13-21-17(19-16)12-15(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one has a molecular weight of 301.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 105118402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).