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

C10H19N3OS — CID 106379873

IUPAC4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)12-5-4-11-6-8-7-15-9(14)13-8/h7,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeySGGXQMPXTCANQR-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.91
Rot. Bonds5

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

4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379873) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379873
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)12-5-4-11-6-8-7-15-9(14)13-8/h7,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeySGGXQMPXTCANQR-UHFFFAOYSA-N
XLogP0.91
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
CID 119091330
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
4-Methyl-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 60673049
3-[2-(Ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60673072
3-[3-(Tert-butylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61388131
4-Methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 61683916
3-[2-(Tert-butylamino)ethyl]-1,3-thiazol-2-one
CID 63312456

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379873) is 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(C)(C)NCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SGGXQMPXTCANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)12-5-4-11-6-8-7-15-9(14)13-8/h7,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).