N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine

C16H22N6S — CID 100651961

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyWMHKCZKTKMMMJF-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 100651961) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID100651961
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyWMHKCZKTKMMMJF-UHFFFAOYSA-N
XLogP2.61
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine (CID 100651961) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine is c1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is WMHKCZKTKMMMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20).
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 330.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 100651961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).