5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine

C7H14N4S — CID 13389310

IUPAC5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4S/c1-3-11(4-2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3,(H2,8,10)
InChIKeyOUTZNYKZIKGIDK-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.96
Rot. Bonds4

About 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine

5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 13389310) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine
PubChem CID13389310
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4S/c1-3-11(4-2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3,(H2,8,10)
InChIKeyOUTZNYKZIKGIDK-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
CID 63189099
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606721
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606999
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
N-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607103
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607633
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608074
N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613569
2,2,2-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614473
5-[[2,2-difluoroethyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 116317415
5-[[2,2-Difluoroethyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 116317428

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine (CID 13389310) is 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine is CCN(CC)Cc1nnc(N)s1.
What is the InChIKey of 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OUTZNYKZIKGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-3-11(4-2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3,(H2,8,10).
What are the key properties of 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine?
5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 186.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13389310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).