N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

C13H26N4OS — CID 80621123

IUPACN-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1nnc(CNCC(C)C)s1
InChIInChI=1S/C13H26N4OS/c1-5-17(6-2)7-8-18-13-16-15-12(19-13)10-14-9-11(3)4/h11,14H,5-10H2,1-4H3
InChIKeyKSGPNJXTRBDOMG-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.00
Rot. Bonds10

About N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80621123) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80621123
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCOc1nnc(CNCC(C)C)s1
InChIInChI=1S/C13H26N4OS/c1-5-17(6-2)7-8-18-13-16-15-12(19-13)10-14-9-11(3)4/h11,14H,5-10H2,1-4H3
InChIKeyKSGPNJXTRBDOMG-UHFFFAOYSA-N
XLogP2.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 80621123) is N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is CCN(CC)CCOc1nnc(CNCC(C)C)s1.
What is the InChIKey of N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KSGPNJXTRBDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-5-17(6-2)7-8-18-13-16-15-12(19-13)10-14-9-11(3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80621123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).