3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C12H24N4S — CID 65267993

IUPAC3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)CCc1nsc(NCC(C)C)n1
InChIInChI=1S/C12H24N4S/c1-5-16(6-2)8-7-11-14-12(17-15-11)13-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyUFCIQRAUIBGGHI-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.49
Rot. Bonds8

About 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267993) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267993
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)CCc1nsc(NCC(C)C)n1
InChIInChI=1S/C12H24N4S/c1-5-16(6-2)8-7-11-14-12(17-15-11)13-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyUFCIQRAUIBGGHI-UHFFFAOYSA-N
XLogP2.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CID 54595871
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267993) is 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CCN(CC)CCc1nsc(NCC(C)C)n1.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UFCIQRAUIBGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-16(6-2)8-7-11-14-12(17-15-11)13-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).