1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea

C16H11ClN4OS2 — CID 3038332

IUPAC1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea
SMILESO=C1C(NC(=S)Nc2ccccc2Cl)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11ClN4OS2/c17-9-5-1-2-6-10(9)18-15(23)20-13-14(22)21-12-8-4-3-7-11(12)19-16(21)24-13/h1-8,13H,(H2,18,20,23)
InChIKeyOUJPOGMKHNWUQB-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.75
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea

1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea (PubChem CID 3038332) has the molecular formula C16H11ClN4OS2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea
PubChem CID3038332
Molecular FormulaC16H11ClN4OS2
Molecular Weight374.88 g/mol
Exact Mass374.01
IUPAC Name1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea
SMILESO=C1C(NC(=S)Nc2ccccc2Cl)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11ClN4OS2/c17-9-5-1-2-6-10(9)18-15(23)20-13-14(22)21-12-8-4-3-7-11(12)19-16(21)24-13/h1-8,13H,(H2,18,20,23)
InChIKeyOUJPOGMKHNWUQB-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
1-(2-chlorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea
CID 22945833
1-(2-chlorophenyl)-3-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461288
1-(2-chlorophenyl)-3-[(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl]thiourea
CID 98109889
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
N-(2-chlorophenyl)-1,3-benzothiazole-2-carbothioamide
CID 886218
1-(2-chlorophenyl)-3-(1-ethylpiperidin-4-yl)thiourea
CID 17282493
5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione
CID 3119524
2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
CID 2774104

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea (CID 3038332) is 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea is O=C1C(NC(=S)Nc2ccccc2Cl)Sc2nc3ccccc3n21.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea?
The InChIKey is OUJPOGMKHNWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS2/c17-9-5-1-2-6-10(9)18-15(23)20-13-14(22)21-12-8-4-3-7-11(12)19-16(21)24-13/h1-8,13H,(H2,18,20,23).
What are the key properties of 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea?
1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea has a molecular weight of 374.88 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea is sourced from PubChem (CID 3038332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).