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

C8H12N6S — CID 115320137

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCn2cc(N)cn2)n1
InChIInChI=1S/C8H12N6S/c1-6-12-8(15-13-6)10-2-3-14-5-7(9)4-11-14/h4-5H,2-3,9H2,1H3,(H,10,12,13)
InChIKeyQWFMLHXPWJTIRM-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.74
Rot. Bonds4

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 115320137) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID115320137
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCn2cc(N)cn2)n1
InChIInChI=1S/C8H12N6S/c1-6-12-8(15-13-6)10-2-3-14-5-7(9)4-11-14/h4-5H,2-3,9H2,1H3,(H,10,12,13)
InChIKeyQWFMLHXPWJTIRM-UHFFFAOYSA-N
XLogP0.74
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103736495
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine
CID 115320119
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 130743944
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-amine
CID 65273578
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267633
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
N-[2-(4-aminopyrazol-1-yl)ethyl]pyridin-2-amine
CID 115320029
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-[2-(4-aminopyrazol-1-yl)ethyl]-6-propoxypyrazin-2-amine
CID 115320144
N-[2-(4-aminopyrazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390918

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 115320137) is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCn2cc(N)cn2)n1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QWFMLHXPWJTIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-6-12-8(15-13-6)10-2-3-14-5-7(9)4-11-14/h4-5H,2-3,9H2,1H3,(H,10,12,13).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 224.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115320137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).