5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide

C21H17N3O4S — CID 60572100

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H17N3O4S/c25-15-7-3-1-5-13(15)19(26)22-11-12-23-20(27)16-9-10-17(28-16)21-24-14-6-2-4-8-18(14)29-21/h1-10,25H,11-12H2,(H,22,26)(H,23,27)
InChIKeyHALNKHKRNJIINO-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.42
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 60572100) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID60572100
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H17N3O4S/c25-15-7-3-1-5-13(15)19(26)22-11-12-23-20(27)16-9-10-17(28-16)21-24-14-6-2-4-8-18(14)29-21/h1-10,25H,11-12H2,(H,22,26)(H,23,27)
InChIKeyHALNKHKRNJIINO-UHFFFAOYSA-N
XLogP3.42
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
5-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 9083262
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
CID 112767789
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride
CID 119558438
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide (CID 60572100) is 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccccc1O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is HALNKHKRNJIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c25-15-7-3-1-5-13(15)19(26)22-11-12-23-20(27)16-9-10-17(28-16)21-24-14-6-2-4-8-18(14)29-21/h1-10,25H,11-12H2,(H,22,26)(H,23,27).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 60572100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).