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

C13H11N3OS2 — CID 24692699

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H11N3OS2/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)
InChIKeyWYQOEQJGGLJPFH-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.50
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 24692699) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID24692699
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H11N3OS2/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)
InChIKeyWYQOEQJGGLJPFH-UHFFFAOYSA-N
XLogP3.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.50
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)-3-methoxythiophene-2-carboxamide
CID 81117082
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
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
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-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
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-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (CID 24692699) is N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is WYQOEQJGGLJPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/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-methylthiophene-2-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 289.39 g/mol, XLogP of 3.50, 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-methylthiophene-2-carboxamide is sourced from PubChem (CID 24692699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).