3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine

C13H22N6S — CID 141377694

IUPAC3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2)c1N1CCC(CN)CC1
InChIInChI=1S/C13H22N6S/c1-17-13(18-4-2-10(6-14)3-5-18)11(7-16-17)19-8-12(15)20-9-19/h7-8,10H,2-6,9,14-15H2,1H3
InChIKeyGEKAIIXXWKMCSR-UHFFFAOYSA-N
MW294.43 g/mol
LogP0.86
Rot. Bonds3

About 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine

3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine (PubChem CID 141377694) has the molecular formula C13H22N6S and a molecular weight of 294.43 g/mol. Its IUPAC name is 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine
PubChem CID141377694
Molecular FormulaC13H22N6S
Molecular Weight294.43 g/mol
Exact Mass294.16
IUPAC Name3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2)c1N1CCC(CN)CC1
InChIInChI=1S/C13H22N6S/c1-17-13(18-4-2-10(6-14)3-5-18)11(7-16-17)19-8-12(15)20-9-19/h7-8,10H,2-6,9,14-15H2,1H3
InChIKeyGEKAIIXXWKMCSR-UHFFFAOYSA-N
XLogP0.86
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The IUPAC name of 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine (CID 141377694) is 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The canonical SMILES for 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine is Cn1ncc(N2C=C(N)SC2)c1N1CCC(CN)CC1.
What is the InChIKey of 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine?
The InChIKey is GEKAIIXXWKMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6S/c1-17-13(18-4-2-10(6-14)3-5-18)11(7-16-17)19-8-12(15)20-9-19/h7-8,10H,2-6,9,14-15H2,1H3.
What are the key properties of 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine?
3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine has a molecular weight of 294.43 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 141377694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).