2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C16H14N4O2S — CID 135771298

IUPAC2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1nc2ccccc2s1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O2S/c21-12-7-5-11(6-8-12)9-18-20-15(22)10-17-16-19-13-3-1-2-4-14(13)23-16/h1-9,21H,10H2,(H,17,19)(H,20,22)/b18-9+
InChIKeyFEZXFFFGKUAWTH-GIJQJNRQSA-N
MW326.38 g/mol
LogP2.56
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135771298) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135771298
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1nc2ccccc2s1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O2S/c21-12-7-5-11(6-8-12)9-18-20-15(22)10-17-16-19-13-3-1-2-4-14(13)23-16/h1-9,21H,10H2,(H,17,19)(H,20,22)/b18-9+
InChIKeyFEZXFFFGKUAWTH-GIJQJNRQSA-N
XLogP2.56
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9030622
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]acetamide
CID 9031064
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 9030524
2-(1,3-benzothiazol-2-ylamino)-N-(pentan-3-ylideneamino)acetamide
CID 9030710
N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide
CID 25140302
4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 5435376
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 1386193
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135771298) is 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1nc2ccccc2s1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is FEZXFFFGKUAWTH-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-12-7-5-11(6-8-12)9-18-20-15(22)10-17-16-19-13-3-1-2-4-14(13)23-16/h1-9,21H,10H2,(H,17,19)(H,20,22)/b18-9+.
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135771298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).