5-(2-methylpropyl)-3H-1,3-thiazol-2-one

C7H11NOS — CID 123486048

IUPAC5-(2-methylpropyl)-3H-1,3-thiazol-2-one
SMILESCC(C)Cc1c[nH]c(=O)s1
InChIInChI=1S/C7H11NOS/c1-5(2)3-6-4-8-7(9)10-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyJEDHAJDMSDMJSY-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.63
Rot. Bonds2

About 5-(2-methylpropyl)-3H-1,3-thiazol-2-one

5-(2-methylpropyl)-3H-1,3-thiazol-2-one (PubChem CID 123486048) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3H-1,3-thiazol-2-one
PubChem CID123486048
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name5-(2-methylpropyl)-3H-1,3-thiazol-2-one
SMILESCC(C)Cc1c[nH]c(=O)s1
InChIInChI=1S/C7H11NOS/c1-5(2)3-6-4-8-7(9)10-6/h4-5H,3H2,1-2H3,(H,8,9)
InChIKeyJEDHAJDMSDMJSY-UHFFFAOYSA-N
XLogP1.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(2-methylpropyl)-3H-1,3-thiazol-2-one (CID 123486048) is 5-(2-methylpropyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(2-methylpropyl)-3H-1,3-thiazol-2-one is CC(C)Cc1c[nH]c(=O)s1.
What is the InChIKey of 5-(2-methylpropyl)-3H-1,3-thiazol-2-one?
The InChIKey is JEDHAJDMSDMJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)3-6-4-8-7(9)10-6/h4-5H,3H2,1-2H3,(H,8,9).
What are the key properties of 5-(2-methylpropyl)-3H-1,3-thiazol-2-one?
5-(2-methylpropyl)-3H-1,3-thiazol-2-one has a molecular weight of 157.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).