1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

C9H18N2O2S — CID 20699060

IUPAC1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C9H18N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h7,10,12H,4-6H2,1-3H3
InChIKeyBXKCIIUJWMDRRY-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.12
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (PubChem CID 20699060) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
PubChem CID20699060
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C9H18N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h7,10,12H,4-6H2,1-3H3
InChIKeyBXKCIIUJWMDRRY-UHFFFAOYSA-N
XLogP-0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 162414677
N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961062
tert-butyl N-[2-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 20624414
tert-butyl N-[2-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 20624415
2,2-Dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
CID 20648669
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699051
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699062
2,2-Dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 20699081
(4R)-N-[(1S)-1-Methyl-2-hydroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
CID 21309140
(4R)-N-(2-Hydroxyethyl)-2-oxothiazolidine-4-carboxamide
CID 53943884
tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 59926720
tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 59926989

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (CID 20699060) is 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is CNCC(=O)N1C(CO)CSC1(C)C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The InChIKey is BXKCIIUJWMDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h7,10,12H,4-6H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone has a molecular weight of 218.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 20699060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).