2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol

C7H13N3O2S — CID 65273271

IUPAC2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)CCO)n1
InChIInChI=1S/C7H13N3O2S/c1-6-8-7(13-9-6)10(2-4-11)3-5-12/h11-12H,2-5H2,1H3
InChIKeyPAKLLXSTNXITAD-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.36
Rot. Bonds5

About 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol

2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65273271) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65273271
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)CCO)n1
InChIInChI=1S/C7H13N3O2S/c1-6-8-7(13-9-6)10(2-4-11)3-5-12/h11-12H,2-5H2,1H3
InChIKeyPAKLLXSTNXITAD-UHFFFAOYSA-N
XLogP-0.36
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Methyl-1,2,4-thiadiazol-5-yl)methanol
CID 91647791
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[2,2-Difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107484087
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484111
2-[2,2-Difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484209
2-[2,2-Difluoroethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484247

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65273271) is 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(N(CCO)CCO)n1.
What is the InChIKey of 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is PAKLLXSTNXITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6-8-7(13-9-6)10(2-4-11)3-5-12/h11-12H,2-5H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 203.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65273271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).