7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N5OS — CID 22196617

IUPAC7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(C)c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-10-13(11(2)19(4)17-10)9-18(3)8-12-7-14(21)20-5-6-22-15(20)16-12/h5-7H,8-9H2,1-4H3
InChIKeyMYJLAHMWFVJXEK-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.74
Rot. Bonds4

About 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 22196617) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID22196617
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(C)c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-10-13(11(2)19(4)17-10)9-18(3)8-12-7-14(21)20-5-6-22-15(20)16-12/h5-7H,8-9H2,1-4H3
InChIKeyMYJLAHMWFVJXEK-UHFFFAOYSA-N
XLogP1.74
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 22196617) is 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nn(C)c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MYJLAHMWFVJXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-13(11(2)19(4)17-10)9-18(3)8-12-7-14(21)20-5-6-22-15(20)16-12/h5-7H,8-9H2,1-4H3.
What are the key properties of 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 317.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 22196617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).