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

C9H18N4OS — CID 104554428

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
SMILESCCNc1nnc(CN(C)C(C)CO)s1
InChIInChI=1S/C9H18N4OS/c1-4-10-9-12-11-8(15-9)5-13(3)7(2)6-14/h7,14H,4-6H2,1-3H3,(H,10,12)
InChIKeyXKJVSIQIRZTZHD-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.78
Rot. Bonds6

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

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol (PubChem CID 104554428) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
PubChem CID104554428
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
SMILESCCNc1nnc(CN(C)C(C)CO)s1
InChIInChI=1S/C9H18N4OS/c1-4-10-9-12-11-8(15-9)5-13(3)7(2)6-14/h7,14H,4-6H2,1-3H3,(H,10,12)
InChIKeyXKJVSIQIRZTZHD-UHFFFAOYSA-N
XLogP0.78
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol (CID 104554428) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol is CCNc1nnc(CN(C)C(C)CO)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol?
The InChIKey is XKJVSIQIRZTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-4-10-9-12-11-8(15-9)5-13(3)7(2)6-14/h7,14H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol has a molecular weight of 230.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).