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

C7H13N3O2S — CID 65209385

IUPAC2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
SMILESCc1nnc(NCCOCCO)s1
InChIInChI=1S/C7H13N3O2S/c1-6-9-10-7(13-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,10)
InChIKeyTTXJLTRVXNNTCX-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.27
Rot. Bonds6

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

2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol (PubChem CID 65209385) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
PubChem CID65209385
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
SMILESCc1nnc(NCCOCCO)s1
InChIInChI=1S/C7H13N3O2S/c1-6-9-10-7(13-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,10)
InChIKeyTTXJLTRVXNNTCX-UHFFFAOYSA-N
XLogP0.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
CID 102768305
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
N'-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 65209500
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749612
4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 106253886
2,2-difluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 104858416
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol
CID 172603550
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol (CID 65209385) is 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol is Cc1nnc(NCCOCCO)s1.
What is the InChIKey of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol?
The InChIKey is TTXJLTRVXNNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6-9-10-7(13-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,10).
What are the key properties of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol?
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol has a molecular weight of 203.27 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65209385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).