3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H20N2OS — CID 63310490

IUPAC3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCNC(C)(C)C)c1C
InChIInChI=1S/C11H20N2OS/c1-8-9(2)15-10(14)13(8)7-6-12-11(3,4)5/h12H,6-7H2,1-5H3
InChIKeyFCZXBYDUOLRLCH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.91
Rot. Bonds3

About 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63310490) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63310490
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCNC(C)(C)C)c1C
InChIInChI=1S/C11H20N2OS/c1-8-9(2)15-10(14)13(8)7-6-12-11(3,4)5/h12H,6-7H2,1-5H3
InChIKeyFCZXBYDUOLRLCH-UHFFFAOYSA-N
XLogP1.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63310490) is 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCNC(C)(C)C)c1C.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is FCZXBYDUOLRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-9(2)15-10(14)13(8)7-6-12-11(3,4)5/h12H,6-7H2,1-5H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(tert-butylamino)ethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 228.36 g/mol, XLogP of 1.91, 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]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63310490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).