2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol

C8H16N4OS — CID 104554429

IUPAC2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
SMILESCNc1nnc(CN(C)C(C)CO)s1
InChIInChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-10-11-8(9-2)14-7/h6,13H,4-5H2,1-3H3,(H,9,11)
InChIKeyNRDCCAJCSHFNQD-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.39
Rot. Bonds5

About 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol

2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol (PubChem CID 104554429) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
PubChem CID104554429
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
SMILESCNc1nnc(CN(C)C(C)CO)s1
InChIInChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-10-11-8(9-2)14-7/h6,13H,4-5H2,1-3H3,(H,9,11)
InChIKeyNRDCCAJCSHFNQD-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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Related Compounds

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 107871071
5-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
CID 104554389
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 105416959

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol (CID 104554429) is 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol is CNc1nnc(CN(C)C(C)CO)s1.
What is the InChIKey of 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol?
The InChIKey is NRDCCAJCSHFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(5-13)12(3)4-7-10-11-8(9-2)14-7/h6,13H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol?
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-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)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 104554429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).