3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one

C10H18N2OS — CID 131007584

IUPAC3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(C)(C)CN)c1C
InChIInChI=1S/C10H18N2OS/c1-7-8(2)14-9(13)12(7)6-10(3,4)5-11/h5-6,11H2,1-4H3
InChIKeyGVHIXOQRMGXWKO-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.51
Rot. Bonds3

About 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 131007584) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID131007584
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(C)(C)CN)c1C
InChIInChI=1S/C10H18N2OS/c1-7-8(2)14-9(13)12(7)6-10(3,4)5-11/h5-6,11H2,1-4H3
InChIKeyGVHIXOQRMGXWKO-UHFFFAOYSA-N
XLogP1.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 131007584) is 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(C)(C)CN)c1C.
What is the InChIKey of 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is GVHIXOQRMGXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-8(2)14-9(13)12(7)6-10(3,4)5-11/h5-6,11H2,1-4H3.
What are the key properties of 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 131007584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).