5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C11H10FN5OS — CID 151277663

IUPAC5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)(F)c1nc2sc(-n3cccn3)nc2c(=O)[nH]1
InChIInChI=1S/C11H10FN5OS/c1-11(2,12)9-15-7(18)6-8(16-9)19-10(14-6)17-5-3-4-13-17/h3-5H,1-2H3,(H,15,16,18)
InChIKeyNXRRPSGPMWWTPT-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.77
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 151277663) has the molecular formula C11H10FN5OS and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID151277663
Molecular FormulaC11H10FN5OS
Molecular Weight279.30 g/mol
Exact Mass279.06
IUPAC Name5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)(F)c1nc2sc(-n3cccn3)nc2c(=O)[nH]1
InChIInChI=1S/C11H10FN5OS/c1-11(2,12)9-15-7(18)6-8(16-9)19-10(14-6)17-5-3-4-13-17/h3-5H,1-2H3,(H,15,16,18)
InChIKeyNXRRPSGPMWWTPT-UHFFFAOYSA-N
XLogP1.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 151277663) is 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CC(C)(F)c1nc2sc(-n3cccn3)nc2c(=O)[nH]1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is NXRRPSGPMWWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5OS/c1-11(2,12)9-15-7(18)6-8(16-9)19-10(14-6)17-5-3-4-13-17/h3-5H,1-2H3,(H,15,16,18).
What are the key properties of 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 279.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 151277663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).