2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one

C15H27NOS — CID 21060921

IUPAC2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one
SMILESCCCCn1sc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H27NOS/c1-8-9-10-16-13(17)11(14(2,3)4)12(18-16)15(5,6)7/h8-10H2,1-7H3
InChIKeyDSOJIXOIROVRHO-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.30
Rot. Bonds3

About 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one

2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one (PubChem CID 21060921) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one
PubChem CID21060921
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one
SMILESCCCCn1sc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H27NOS/c1-8-9-10-16-13(17)11(14(2,3)4)12(18-16)15(5,6)7/h8-10H2,1-7H3
InChIKeyDSOJIXOIROVRHO-UHFFFAOYSA-N
XLogP4.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-ditert-butyl-1-propyl-2H-pyrrol-5-one
CID 20773117
1-butyl-3,4-ditert-butyl-2H-pyrrol-5-one
CID 20871978
1-Butyl-3,4-ditert-butylpyrrole-2,5-dione
CID 20871982
4,5-Ditert-butyl-2-propyl-1,2-thiazol-3-one
CID 23552382
3,4-ditert-butyl-1-methyl-2H-pyrrol-5-one
CID 23592086
3,4-Ditert-butyl-1-methylpyrrole-2,5-dione
CID 23592089
4-tert-butyl-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 58717234
1-ethyl-3,4-di(propan-2-yl)-2H-pyrrol-5-one
CID 58874429
3-butyl-5,6-ditert-butyl-2H-thiadiazin-4-one
CID 59105256
4,5-Ditert-butyl-2-methyl-1,2-thiazol-3-one
CID 59123901
4-tert-butyl-1,2,3-trimethyl-2H-pyrrol-5-one
CID 59598424
1,4-diethyl-3-propan-2-yl-2H-pyrrol-5-one
CID 89359802

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one?
The IUPAC name of 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one (CID 21060921) is 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one?
The canonical SMILES for 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one is CCCCn1sc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one?
The InChIKey is DSOJIXOIROVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-8-9-10-16-13(17)11(14(2,3)4)12(18-16)15(5,6)7/h8-10H2,1-7H3.
What are the key properties of 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one?
2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one has a molecular weight of 269.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-ditert-butyl-1,2-thiazol-3-one is sourced from PubChem (CID 21060921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).