7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H19N5OS — CID 97004603

IUPAC7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc([C@@H]2CCCN(Cc3cc(=O)n4ccsc4n3)C2)n[nH]1
InChIInChI=1S/C16H19N5OS/c1-11-7-14(19-18-11)12-3-2-4-20(9-12)10-13-8-15(22)21-5-6-23-16(21)17-13/h5-8,12H,2-4,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyJYSTWRIDJVFXRM-GFCCVEGCSA-N
MW329.43 g/mol
LogP2.17
Rot. Bonds3

About 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 97004603) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID97004603
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc([C@@H]2CCCN(Cc3cc(=O)n4ccsc4n3)C2)n[nH]1
InChIInChI=1S/C16H19N5OS/c1-11-7-14(19-18-11)12-3-2-4-20(9-12)10-13-8-15(22)21-5-6-23-16(21)17-13/h5-8,12H,2-4,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyJYSTWRIDJVFXRM-GFCCVEGCSA-N
XLogP2.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 97004603) is 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc([C@@H]2CCCN(Cc3cc(=O)n4ccsc4n3)C2)n[nH]1.
What is the InChIKey of 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JYSTWRIDJVFXRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-7-14(19-18-11)12-3-2-4-20(9-12)10-13-8-15(22)21-5-6-23-16(21)17-13/h5-8,12H,2-4,9-10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 329.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 97004603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).