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

C13H17N5S — CID 171688131

IUPAC5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nccc(C3CCCNC3)n2)s1
InChIInChI=1S/C13H17N5S/c1-9-7-16-13(19-9)18-12-15-6-4-11(17-12)10-3-2-5-14-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3,(H,15,16,17,18)
InChIKeyWHFVTOXPLYYELO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds3

About 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine

5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 171688131) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID171688131
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nccc(C3CCCNC3)n2)s1
InChIInChI=1S/C13H17N5S/c1-9-7-16-13(19-9)18-12-15-6-4-11(17-12)10-3-2-5-14-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3,(H,15,16,17,18)
InChIKeyWHFVTOXPLYYELO-UHFFFAOYSA-N
XLogP2.45
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 171688131) is 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1cnc(Nc2nccc(C3CCCNC3)n2)s1.
What is the InChIKey of 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is WHFVTOXPLYYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-7-16-13(19-9)18-12-15-6-4-11(17-12)10-3-2-5-14-8-10/h4,6-7,10,14H,2-3,5,8H2,1H3,(H,15,16,17,18).
What are the key properties of 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine?
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 171688131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).