N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 115886007

IUPACN-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C11H20N4S/c1-4-10-13-11(16-14-10)12-9-5-6-15(3)7-8(9)2/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyIVODNHWNCZGLKW-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.85
Rot. Bonds3

About N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 115886007) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID115886007
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C11H20N4S/c1-4-10-13-11(16-14-10)12-9-5-6-15(3)7-8(9)2/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyIVODNHWNCZGLKW-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 114504855
5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 114505705
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65274333
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736671
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 114506472
3-(methoxymethyl)-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 133383314
4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
CID 114506491
5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365712

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 115886007) is N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCN(C)CC2C)n1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IVODNHWNCZGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-10-13-11(16-14-10)12-9-5-6-15(3)7-8(9)2/h8-9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115886007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).