(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C19H12N4OS — CID 683467

IUPAC(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn[nH]c2-c2ccccc2)sc2nc3ccccc3n12
InChIInChI=1S/C19H12N4OS/c24-18-16(25-19-21-14-8-4-5-9-15(14)23(18)19)10-13-11-20-22-17(13)12-6-2-1-3-7-12/h1-11H,(H,20,22)/b16-10-
InChIKeyRTKUIZBNAUSUKC-YBEGLDIGSA-N
MW344.40 g/mol
LogP2.85
Rot. Bonds2

About (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 683467) has the molecular formula C19H12N4OS and a molecular weight of 344.40 g/mol. Its IUPAC name is (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID683467
Molecular FormulaC19H12N4OS
Molecular Weight344.40 g/mol
Exact Mass344.07
IUPAC Name(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn[nH]c2-c2ccccc2)sc2nc3ccccc3n12
InChIInChI=1S/C19H12N4OS/c24-18-16(25-19-21-14-8-4-5-9-15(14)23(18)19)10-13-11-20-22-17(13)12-6-2-1-3-7-12/h1-11H,(H,20,22)/b16-10-
InChIKeyRTKUIZBNAUSUKC-YBEGLDIGSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 683467) is (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2cn[nH]c2-c2ccccc2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is RTKUIZBNAUSUKC-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H12N4OS/c24-18-16(25-19-21-14-8-4-5-9-15(14)23(18)19)10-13-11-20-22-17(13)12-6-2-1-3-7-12/h1-11H,(H,20,22)/b16-10-.
What are the key properties of (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 344.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 683467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).