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

C7H13N3OS2 — CID 75418133

IUPAC2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
SMILESCSc1nnc(CN(C)CCO)s1
InChIInChI=1S/C7H13N3OS2/c1-10(3-4-11)5-6-8-9-7(12-2)13-6/h11H,3-5H2,1-2H3
InChIKeyVBKLLLCJNVLNDY-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.68
Rot. Bonds5

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

2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol (PubChem CID 75418133) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
PubChem CID75418133
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
SMILESCSc1nnc(CN(C)CCO)s1
InChIInChI=1S/C7H13N3OS2/c1-10(3-4-11)5-6-8-9-7(12-2)13-6/h11H,3-5H2,1-2H3
InChIKeyVBKLLLCJNVLNDY-UHFFFAOYSA-N
XLogP0.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol (CID 75418133) is 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol is CSc1nnc(CN(C)CCO)s1.
What is the InChIKey of 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is VBKLLLCJNVLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-10(3-4-11)5-6-8-9-7(12-2)13-6/h11H,3-5H2,1-2H3.
What are the key properties of 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 219.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 75418133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).