2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol

C8H16N4OS — CID 104554389

IUPAC2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
SMILESCNc1snnc1CN(C)C(C)CO
InChIInChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-8(9-2)14-11-10-7/h6,9,13H,4-5H2,1-3H3
InChIKeyMBMZGSBGAWOAOI-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.39
Rot. Bonds5

About 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol

2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol (PubChem CID 104554389) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
PubChem CID104554389
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
SMILESCNc1snnc1CN(C)C(C)CO
InChIInChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-8(9-2)14-11-10-7/h6,9,13H,4-5H2,1-3H3
InChIKeyMBMZGSBGAWOAOI-UHFFFAOYSA-N
XLogP0.39
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol (CID 104554389) is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol is CNc1snnc1CN(C)C(C)CO.
What is the InChIKey of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol?
The InChIKey is MBMZGSBGAWOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-8(9-2)14-11-10-7/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol?
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 104554389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).