N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine

C12H15N5S — CID 155982517

IUPACN-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1cc(C2CCNCC2)nc(Nc2nccs2)n1
InChIInChI=1S/C12H15N5S/c1-4-13-5-2-9(1)10-3-6-14-11(16-10)17-12-15-7-8-18-12/h3,6-9,13H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyJRKUFXQSKBYPPJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.14
Rot. Bonds3

About N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine

N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 155982517) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID155982517
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1cc(C2CCNCC2)nc(Nc2nccs2)n1
InChIInChI=1S/C12H15N5S/c1-4-13-5-2-9(1)10-3-6-14-11(16-10)17-12-15-7-8-18-12/h3,6-9,13H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyJRKUFXQSKBYPPJ-UHFFFAOYSA-N
XLogP2.14
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 155982517) is N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine is c1cc(C2CCNCC2)nc(Nc2nccs2)n1.
What is the InChIKey of N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is JRKUFXQSKBYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-4-13-5-2-9(1)10-3-6-14-11(16-10)17-12-15-7-8-18-12/h3,6-9,13H,1-2,4-5H2,(H,14,15,16,17).
What are the key properties of N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).