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

C9H18N4OS — CID 62337157

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCCNc1snnc1CN(C)CC(C)O
InChIInChI=1S/C9H18N4OS/c1-4-10-9-8(11-12-15-9)6-13(3)5-7(2)14/h7,10,14H,4-6H2,1-3H3
InChIKeyPABAGHIVAOHCDT-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.78
Rot. Bonds6

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol (PubChem CID 62337157) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
PubChem CID62337157
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCCNc1snnc1CN(C)CC(C)O
InChIInChI=1S/C9H18N4OS/c1-4-10-9-8(11-12-15-9)6-13(3)5-7(2)14/h7,10,14H,4-6H2,1-3H3
InChIKeyPABAGHIVAOHCDT-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 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol (CID 62337157) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol is CCNc1snnc1CN(C)CC(C)O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol?
The InChIKey is PABAGHIVAOHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-4-10-9-8(11-12-15-9)6-13(3)5-7(2)14/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-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 1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62337157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).