1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one

C10H7N5O2S — CID 140960291

IUPAC1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
SMILESO=C1C=C(n2cc(-c3cncnc3)cn2)S(=O)N1
InChIInChI=1S/C10H7N5O2S/c16-9-1-10(18(17)14-9)15-5-8(4-13-15)7-2-11-6-12-3-7/h1-6H,(H,14,16)
InChIKeyLCESIRYSXVKUDV-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.07
Rot. Bonds2

About 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one

1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one (PubChem CID 140960291) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
PubChem CID140960291
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
SMILESO=C1C=C(n2cc(-c3cncnc3)cn2)S(=O)N1
InChIInChI=1S/C10H7N5O2S/c16-9-1-10(18(17)14-9)15-5-8(4-13-15)7-2-11-6-12-3-7/h1-6H,(H,14,16)
InChIKeyLCESIRYSXVKUDV-UHFFFAOYSA-N
XLogP-0.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-bromophenyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960229
4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile
CID 140960454
5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960341
1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one
CID 140960481
5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960331
5-[4-[4-[(2,6-dimethylphenyl)methoxy]phenyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960605
5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960428
5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960577
N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide
CID 145258467
5-[4-(6-fluoro-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[6-(6-piperidin-1-yl-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[4-[6-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1,2-thiazol-3-one
CID 162221974
5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960532
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375

Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one (CID 140960291) is 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one is O=C1C=C(n2cc(-c3cncnc3)cn2)S(=O)N1.
What is the InChIKey of 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The InChIKey is LCESIRYSXVKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c16-9-1-10(18(17)14-9)15-5-8(4-13-15)7-2-11-6-12-3-7/h1-6H,(H,14,16).
What are the key properties of 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one has a molecular weight of 261.27 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one is sourced from PubChem (CID 140960291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).