3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one

C10H18N2OS — CID 60671313

IUPAC3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC(C)(C)C
InChIInChI=1S/C10H18N2OS/c1-8-7-14-9(13)12(8)6-5-11-10(2,3)4/h7,11H,5-6H2,1-4H3
InChIKeyJSCOVHRNXHLDLJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.61
Rot. Bonds3

About 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 60671313) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID60671313
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC(C)(C)C
InChIInChI=1S/C10H18N2OS/c1-8-7-14-9(13)12(8)6-5-11-10(2,3)4/h7,11H,5-6H2,1-4H3
InChIKeyJSCOVHRNXHLDLJ-UHFFFAOYSA-N
XLogP1.61
TPSA34.03 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one (CID 60671313) is 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCNC(C)(C)C.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JSCOVHRNXHLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-7-14-9(13)12(8)6-5-11-10(2,3)4/h7,11H,5-6H2,1-4H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 60671313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).