N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide

C12H8ClN3O2S — CID 106683087

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
SMILESNc1ccc2nc(NC(=O)c3ccc(Cl)o3)sc2c1
InChIInChI=1S/C12H8ClN3O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,14H2,(H,15,16,17)
InChIKeyMUYZUQKKDPAIQO-UHFFFAOYSA-N
MW293.74 g/mol
LogP3.38
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide

N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide (PubChem CID 106683087) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
PubChem CID106683087
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
SMILESNc1ccc2nc(NC(=O)c3ccc(Cl)o3)sc2c1
InChIInChI=1S/C12H8ClN3O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,14H2,(H,15,16,17)
InChIKeyMUYZUQKKDPAIQO-UHFFFAOYSA-N
XLogP3.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 156613225
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dibromo-1H-pyrrole-2-carboxamide
CID 134146043
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
CID 16794893
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide (CID 106683087) is N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide is Nc1ccc2nc(NC(=O)c3ccc(Cl)o3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide?
The InChIKey is MUYZUQKKDPAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,14H2,(H,15,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide has a molecular weight of 293.74 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106683087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).