N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 130743944

IUPACN-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCC2)n1
InChIInChI=1S/C8H14N4S/c1-7-10-8(13-11-7)9-3-6-12-4-2-5-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyGEWHTJWDLABMIO-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds4

About N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 130743944) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID130743944
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCC2)n1
InChIInChI=1S/C8H14N4S/c1-7-10-8(13-11-7)9-3-6-12-4-2-5-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyGEWHTJWDLABMIO-UHFFFAOYSA-N
XLogP0.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65271410
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
CID 115657618
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271465
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115320137
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
CID 115657519
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 103894511

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 130743944) is N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCN2CCC2)n1.
What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GEWHTJWDLABMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)9-3-6-12-4-2-5-12/h2-6H2,1H3,(H,9,10,11).
What are the key properties of N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 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 N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130743944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).