3-tert-butyl-1,3-thiazol-2-one

C7H11NOS — CID 118602686

IUPAC3-tert-butyl-1,3-thiazol-2-one
SMILESCC(C)(C)n1ccsc1=O
InChIInChI=1S/C7H11NOS/c1-7(2,3)8-4-5-10-6(8)9/h4-5H,1-3H3
InChIKeyFMOMMRAKQOYZOO-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.66
Rot. Bonds

About 3-tert-butyl-1,3-thiazol-2-one

3-tert-butyl-1,3-thiazol-2-one (PubChem CID 118602686) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-tert-butyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-tert-butyl-1,3-thiazol-2-one
PubChem CID118602686
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-tert-butyl-1,3-thiazol-2-one
SMILESCC(C)(C)n1ccsc1=O
InChIInChI=1S/C7H11NOS/c1-7(2,3)8-4-5-10-6(8)9/h4-5H,1-3H3
InChIKeyFMOMMRAKQOYZOO-UHFFFAOYSA-N
XLogP1.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-tert-butyl-2H-1,3-thiazole
CID 59747670
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
2,2-Dimethyl-1,3-thiazole-3-carbonyl chloride
CID 141486503
CID 159520608
CID 159520608
Ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
CID 159650406
CID 160632580
CID 160632580
S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate
CID 167191445
2,2-Dimethyl-1,3-thiazole-3-carbaldehyde
CID 175310274
3-Propyl-1,3-thiazol-2-one
CID 13828888

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-thiazol-2-one?
The IUPAC name of 3-tert-butyl-1,3-thiazol-2-one (CID 118602686) is 3-tert-butyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-tert-butyl-1,3-thiazol-2-one?
The canonical SMILES for 3-tert-butyl-1,3-thiazol-2-one is CC(C)(C)n1ccsc1=O.
What is the InChIKey of 3-tert-butyl-1,3-thiazol-2-one?
The InChIKey is FMOMMRAKQOYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-7(2,3)8-4-5-10-6(8)9/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-1,3-thiazol-2-one?
3-tert-butyl-1,3-thiazol-2-one has a molecular weight of 157.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-thiazol-2-one is sourced from PubChem (CID 118602686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).