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

C13H11N3O2S — CID 16794893

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H11N3O2S/c1-7-4-5-18-11(7)12(17)16-13-15-9-3-2-8(14)6-10(9)19-13/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyZJHMGMSROXCSHU-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.03
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide (PubChem CID 16794893) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
PubChem CID16794893
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H11N3O2S/c1-7-4-5-18-11(7)12(17)16-13-15-9-3-2-8(14)6-10(9)19-13/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyZJHMGMSROXCSHU-UHFFFAOYSA-N
XLogP3.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 24692699
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
N-(6-amino-1,3-benzothiazol-2-yl)-3-methoxythiophene-2-carboxamide
CID 81117082
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 103510257
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide (CID 16794893) is N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide?
The InChIKey is ZJHMGMSROXCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-4-5-18-11(7)12(17)16-13-15-9-3-2-8(14)6-10(9)19-13/h2-6H,14H2,1H3,(H,15,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 3.03, 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)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 16794893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).