2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole

C13H16N4S — CID 125015515

IUPAC2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1nc(-c2nccs2)cc([C@H]2CCCNC2)n1
InChIInChI=1S/C13H16N4S/c1-9-16-11(10-3-2-4-14-8-10)7-12(17-9)13-15-5-6-18-13/h5-7,10,14H,2-4,8H2,1H3/t10-/m0/s1
InChIKeyWUFFAFSUWNAJJN-JTQLQIEISA-N
MW260.37 g/mol
LogP2.38
Rot. Bonds2

About 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole

2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 125015515) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID125015515
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1nc(-c2nccs2)cc([C@H]2CCCNC2)n1
InChIInChI=1S/C13H16N4S/c1-9-16-11(10-3-2-4-14-8-10)7-12(17-9)13-15-5-6-18-13/h5-7,10,14H,2-4,8H2,1H3/t10-/m0/s1
InChIKeyWUFFAFSUWNAJJN-JTQLQIEISA-N
XLogP2.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole (CID 125015515) is 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole is Cc1nc(-c2nccs2)cc([C@H]2CCCNC2)n1.
What is the InChIKey of 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is WUFFAFSUWNAJJN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-16-11(10-3-2-4-14-8-10)7-12(17-9)13-15-5-6-18-13/h5-7,10,14H,2-4,8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole?
2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 125015515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).