[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate

C19H13N3O3S2 — CID 75404025

IUPAC[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cs1
InChIInChI=1S/C19H13N3O3S2/c1-11(23)20-19-22-14(10-26-19)18(24)25-15-8-4-2-6-12(15)17-21-13-7-3-5-9-16(13)27-17/h2-10H,1H3,(H,20,22,23)
InChIKeyUVIARDNPPQZOAM-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.60
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 75404025) has the molecular formula C19H13N3O3S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID75404025
Molecular FormulaC19H13N3O3S2
Molecular Weight395.47 g/mol
Exact Mass395.04
IUPAC Name[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cs1
InChIInChI=1S/C19H13N3O3S2/c1-11(23)20-19-22-14(10-26-19)18(24)25-15-8-4-2-6-12(15)17-21-13-7-3-5-9-16(13)27-17/h2-10H,1H3,(H,20,22,23)
InChIKeyUVIARDNPPQZOAM-UHFFFAOYSA-N
XLogP4.60
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,3-benzothiazol-2-yl)phenyl] naphthalene-2-carboxylate
CID 7936337
[2-(1,3-benzothiazol-2-yl)phenyl] 2-diphenylphosphanylbenzoate
CID 122207005
[2-(1,3-benzothiazol-2-yl)phenyl] 2,2-dimethylbutanoate
CID 58291241
(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
CID 60502125
[2-(1,3-benzothiazol-2-yl)phenyl] 2-phenylacetate
CID 7936333
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605544
[2-(1,3-benzothiazol-2-yl)phenyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8897195
[2-(1,3-benzothiazol-2-yl)phenyl] 2-ethoxypyridine-3-carboxylate
CID 7936346
[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23888045
N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
CID 132574675
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
CID 170680401
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23904875

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 75404025) is [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cs1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is UVIARDNPPQZOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c1-11(23)20-19-22-14(10-26-19)18(24)25-15-8-4-2-6-12(15)17-21-13-7-3-5-9-16(13)27-17/h2-10H,1H3,(H,20,22,23).
What are the key properties of [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 395.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).