3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea

C13H26N4OS — CID 107154673

IUPAC3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N4OS/c1-13(2,3)8-10-9-16-11(19-10)14-6-7-15-12(18)17(4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,18)
InChIKeyAZYVPDWRCYKBIY-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea

3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea (PubChem CID 107154673) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea
PubChem CID107154673
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC Name3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N4OS/c1-13(2,3)8-10-9-16-11(19-10)14-6-7-15-12(18)17(4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,18)
InChIKeyAZYVPDWRCYKBIY-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea (CID 107154673) is 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is AZYVPDWRCYKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-13(2,3)8-10-9-16-11(19-10)14-6-7-15-12(18)17(4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,18).
What are the key properties of 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 286.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 107154673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).