3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 83839875

IUPAC3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCC2CCNCC2)n1
InChIInChI=1S/C10H18N4S/c1-8-13-10(15-14-8)12-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyICPTUTIOBWFRMV-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.65
Rot. Bonds4

About 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 83839875) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID83839875
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCC2CCNCC2)n1
InChIInChI=1S/C10H18N4S/c1-8-13-10(15-14-8)12-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyICPTUTIOBWFRMV-UHFFFAOYSA-N
XLogP1.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
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
N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267977
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820
N-(4-cyclopropylbutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133480454
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 130743944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine (CID 83839875) is 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCC2CCNCC2)n1.
What is the InChIKey of 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ICPTUTIOBWFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-13-10(15-14-8)12-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 83839875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).