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

C9H16N2OS — CID 63312456

IUPAC3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one
SMILESCC(C)(C)NCCn1ccsc1=O
InChIInChI=1S/C9H16N2OS/c1-9(2,3)10-4-5-11-6-7-13-8(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyWCJROBUDLHGKFR-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.30
Rot. Bonds3

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

3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 63312456) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one
PubChem CID63312456
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one
SMILESCC(C)(C)NCCn1ccsc1=O
InChIInChI=1S/C9H16N2OS/c1-9(2,3)10-4-5-11-6-7-13-8(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyWCJROBUDLHGKFR-UHFFFAOYSA-N
XLogP1.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.30
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]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one (CID 63312456) is 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one is CC(C)(C)NCCn1ccsc1=O.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is WCJROBUDLHGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,3)10-4-5-11-6-7-13-8(11)12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one?
3-[2-(tert-butylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.30, 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]-1,3-thiazol-2-one is sourced from PubChem (CID 63312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).