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

C15H10N4OS — CID 145258471

IUPAC5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
SMILESO=c1cc(-n2cc(-c3cccc4ncccc34)cn2)s[nH]1
InChIInChI=1S/C15H10N4OS/c20-14-7-15(21-18-14)19-9-10(8-17-19)11-3-1-5-13-12(11)4-2-6-16-13/h1-9H,(H,18,20)
InChIKeyLMABIGBZFSVSAZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.84
Rot. Bonds2

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

5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one (PubChem CID 145258471) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
PubChem CID145258471
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
SMILESO=c1cc(-n2cc(-c3cccc4ncccc34)cn2)s[nH]1
InChIInChI=1S/C15H10N4OS/c20-14-7-15(21-18-14)19-9-10(8-17-19)11-3-1-5-13-12(11)4-2-6-16-13/h1-9H,(H,18,20)
InChIKeyLMABIGBZFSVSAZ-UHFFFAOYSA-N
XLogP2.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one;2,2,2-trifluoroacetic acid
CID 145258470
4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
CID 70689779
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
5-(3,5-difluorophenyl)quinoline
CID 166308460
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 90479882
14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 122435680
CID 175088616
CID 175088616
cyclopenta[d][1]benzazepine
CID 90914140
2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
CID 25063649
5-(3-methyl-5-pyrazin-2-ylphenyl)quinoline
CID 144553787
3-bromo-5-quinolin-5-yl-1H-pyrazin-2-one
CID 66699840

Frequently Asked Questions

What is the IUPAC name of 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The IUPAC name of 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one (CID 145258471) is 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The canonical SMILES for 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one is O=c1cc(-n2cc(-c3cccc4ncccc34)cn2)s[nH]1.
What is the InChIKey of 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
The InChIKey is LMABIGBZFSVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c20-14-7-15(21-18-14)19-9-10(8-17-19)11-3-1-5-13-12(11)4-2-6-16-13/h1-9H,(H,18,20).
What are the key properties of 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one?
5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one has a molecular weight of 294.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-quinolin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one is sourced from PubChem (CID 145258471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).