2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one

C8H16N2OS — CID 59336845

IUPAC2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCSC1C
InChIInChI=1S/C8H16N2OS/c1-3-7(9)8(11)10-4-5-12-6(10)2/h6-7H,3-5,9H2,1-2H3
InChIKeyYYBWYAQBGHVPIQ-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds2

About 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one

2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 59336845) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one
PubChem CID59336845
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCSC1C
InChIInChI=1S/C8H16N2OS/c1-3-7(9)8(11)10-4-5-12-6(10)2/h6-7H,3-5,9H2,1-2H3
InChIKeyYYBWYAQBGHVPIQ-UHFFFAOYSA-N
XLogP0.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one (CID 59336845) is 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one is CCC(N)C(=O)N1CCSC1C.
What is the InChIKey of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is YYBWYAQBGHVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-7(9)8(11)10-4-5-12-6(10)2/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one?
2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 188.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 59336845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).