3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C13H15N5OS — CID 136542696

IUPAC3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccn(C(C)C)n3)c(=O)c12
InChIInChI=1S/C13H15N5OS/c1-8(2)18-5-4-10(15-18)6-17-7-14-12-11(13(17)19)9(3)16-20-12/h4-5,7-8H,6H2,1-3H3
InChIKeyAEWAVMLHCZAWQZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.99
Rot. Bonds3

About 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 136542696) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID136542696
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccn(C(C)C)n3)c(=O)c12
InChIInChI=1S/C13H15N5OS/c1-8(2)18-5-4-10(15-18)6-17-7-14-12-11(13(17)19)9(3)16-20-12/h4-5,7-8H,6H2,1-3H3
InChIKeyAEWAVMLHCZAWQZ-UHFFFAOYSA-N
XLogP1.99
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 139013406
5-(2-hydroxyethyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 130481752
3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166241492
5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631
5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
CID 114203132
3-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 167950484
5-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 100684487
1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622158
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazole-4-carboxylic acid
CID 65173008
2-[(1-propan-2-ylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 91969599

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 136542696) is 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1nsc2ncn(Cc3ccn(C(C)C)n3)c(=O)c12.
What is the InChIKey of 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AEWAVMLHCZAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8(2)18-5-4-10(15-18)6-17-7-14-12-11(13(17)19)9(3)16-20-12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 289.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136542696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).