3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one

C8H16N2OS — CID 59465565

IUPAC3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1(C)SCCN1C(=O)CCN
InChIInChI=1S/C8H16N2OS/c1-8(2)10(5-6-12-8)7(11)3-4-9/h3-6,9H2,1-2H3
InChIKeyWMICMDJYIJMDDE-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds2

About 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one

3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 59465565) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID59465565
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1(C)SCCN1C(=O)CCN
InChIInChI=1S/C8H16N2OS/c1-8(2)10(5-6-12-8)7(11)3-4-9/h3-6,9H2,1-2H3
InChIKeyWMICMDJYIJMDDE-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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Related Compounds

3-Thiazolidinepropanamide, 2-propyl-
CID 3079262
3-[N-[1-Methylpropyl]carbamoylethyl]-2-thioxythiazolidine
CID 618805
2,2-Dimethyl-1,3-thiazolidine-5-carboxamide
CID 18752454
N-(2-acetamidoethyl)-3-(3-ethylsulfanylpyrrolidin-1-yl)propanamide
CID 20771815
N,N-dibutyl-2-(1,3-thiazolidin-2-yl)acetamide
CID 57029338
(2S,5R)-2-methyl-1,3-thiazolidine-5-carboxamide
CID 58880462
1-[2-(2-Aminoethylsulfanyl)ethyl]pyrrolidin-2-one
CID 59287943
2-Amino-1-(2-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 59336845
2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide
CID 59783317
[3-(2,2-Dimethyl-1,3-thiazolidin-3-yl)-3-oxopropyl]carbamic acid
CID 68411432
1-[5-[(2-Aminoethylamino)methyl]-1,3-thiazolidin-3-yl]ethanone
CID 70458221
2-(2-Aminoethyl)-2-[2-(dimethylamino)ethyl]-1,3-thiazolidin-4-one
CID 88325930

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one (CID 59465565) is 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one is CC1(C)SCCN1C(=O)CCN.
What is the InChIKey of 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is WMICMDJYIJMDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(2)10(5-6-12-8)7(11)3-4-9/h3-6,9H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one?
3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-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 3-amino-1-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 59465565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).