2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol

C7H13N3O2S — CID 102768305

IUPAC2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
SMILESNc1cnc(NCCOCCO)s1
InChIInChI=1S/C7H13N3O2S/c8-6-5-10-7(13-6)9-1-3-12-4-2-11/h5,11H,1-4,8H2,(H,9,10)
InChIKeyXICCVALEFFOPIP-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.15
Rot. Bonds6

About 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol

2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol (PubChem CID 102768305) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
PubChem CID102768305
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
SMILESNc1cnc(NCCOCCO)s1
InChIInChI=1S/C7H13N3O2S/c8-6-5-10-7(13-6)9-1-3-12-4-2-11/h5,11H,1-4,8H2,(H,9,10)
InChIKeyXICCVALEFFOPIP-UHFFFAOYSA-N
XLogP0.15
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,3-Thiazol-2-yl)amino]ethan-1-ol
CID 17962836
2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine
CID 102768491
3-[(5-Amino-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105642336
3-[(5-Amino-1,3-thiazol-2-yl)amino]-1,1-difluoropropan-2-ol
CID 105642658
2-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine
CID 105906662
2-[(5-Amino-1,3-thiazol-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107478111
2-[(5-Amino-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478274
1-[2-(2-Hydroxyethoxy)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 19704126
2-Morpholin-4-yl-thiazol-5-ylamine
CID 66520644
N2-(2-methoxy-ethyl)-N2-methyl-thiazole-2,5-diamine
CID 67536923
2-[(5-Amino-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 69333847
2-[(5-Amino-1,3-thiazol-2-yl)-methylamino]ethanol
CID 69334777

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol (CID 102768305) is 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol is Nc1cnc(NCCOCCO)s1.
What is the InChIKey of 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol?
The InChIKey is XICCVALEFFOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-6-5-10-7(13-6)9-1-3-12-4-2-11/h5,11H,1-4,8H2,(H,9,10).
What are the key properties of 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol?
2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol has a molecular weight of 203.27 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 102768305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).