2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

C10H19N3OS — CID 79771258

IUPAC2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCNc1ncc(CN(CC)CCO)s1
InChIInChI=1S/C10H19N3OS/c1-3-11-10-12-7-9(15-10)8-13(4-2)5-6-14/h7,14H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyXMUVMVXUMLMAOD-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.39
Rot. Bonds7

About 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (PubChem CID 79771258) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
PubChem CID79771258
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCNc1ncc(CN(CC)CCO)s1
InChIInChI=1S/C10H19N3OS/c1-3-11-10-12-7-9(15-10)8-13(4-2)5-6-14/h7,14H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyXMUVMVXUMLMAOD-UHFFFAOYSA-N
XLogP1.39
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]propanenitrile
CID 79771664
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771732
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
CID 79771358
2-[ethyl-[(2-ethyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 115879673
N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79772041
2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486285
2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol
CID 114243629
N-ethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79765675
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
CID 79774435
2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486372
5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772125

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (CID 79771258) is 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is CCNc1ncc(CN(CC)CCO)s1.
What is the InChIKey of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The InChIKey is XMUVMVXUMLMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-11-10-12-7-9(15-10)8-13(4-2)5-6-14/h7,14H,3-6,8H2,1-2H3,(H,11,12).
What are the key properties of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol has a molecular weight of 229.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 79771258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).