2-(2-methylpropyl)-1,3-thiazolidin-4-one

C7H13NOS — CID 12866704

IUPAC2-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CC1NC(=O)CS1
InChIInChI=1S/C7H13NOS/c1-5(2)3-7-8-6(9)4-10-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFCPIKVJIINDNBX-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.22
Rot. Bonds2

About 2-(2-methylpropyl)-1,3-thiazolidin-4-one

2-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 12866704) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID12866704
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CC1NC(=O)CS1
InChIInChI=1S/C7H13NOS/c1-5(2)3-7-8-6(9)4-10-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFCPIKVJIINDNBX-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 12866704) is 2-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CC1NC(=O)CS1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is FCPIKVJIINDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5(2)3-7-8-6(9)4-10-7/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 159.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 12866704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).