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

C7H11NOS — CID 115659278

IUPAC3-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(C)Cn1ccsc1=O
InChIInChI=1S/C7H11NOS/c1-6(2)5-8-3-4-10-7(8)9/h3-4,6H,5H2,1-2H3
InChIKeyASNBJNMVULBLBE-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.57
Rot. Bonds2

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

3-(2-methylpropyl)-1,3-thiazol-2-one (PubChem CID 115659278) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,3-thiazol-2-one
PubChem CID115659278
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(C)Cn1ccsc1=O
InChIInChI=1S/C7H11NOS/c1-6(2)5-8-3-4-10-7(8)9/h3-4,6H,5H2,1-2H3
InChIKeyASNBJNMVULBLBE-UHFFFAOYSA-N
XLogP1.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
3-(3-Fluoropropyl)-1,3-thiazol-2-one
CID 115706050
3-(2-Fluorobutyl)-1,3-thiazol-2-one
CID 126994849
3-(3,3,3-Trifluoro-2-methylpropyl)-1,3-thiazol-2-one
CID 130618967
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Pentyl-1,3-thiazol-2-one
CID 13828890
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-Tert-butyl-1,3-thiazol-2-one
CID 118602686
3-(2-methylpropyl)-2H-1,3-thiazole
CID 154165307
CID 159520608
CID 159520608
Ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
CID 159650406

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-methylpropyl)-1,3-thiazol-2-one (CID 115659278) is 3-(2-methylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-methylpropyl)-1,3-thiazol-2-one is CC(C)Cn1ccsc1=O.
What is the InChIKey of 3-(2-methylpropyl)-1,3-thiazol-2-one?
The InChIKey is ASNBJNMVULBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6(2)5-8-3-4-10-7(8)9/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,3-thiazol-2-one?
3-(2-methylpropyl)-1,3-thiazol-2-one has a molecular weight of 157.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115659278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).