N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide

C14H13N3OS2 — CID 65237523

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(N)cc3s2)sc1C
InChIInChI=1S/C14H13N3OS2/c1-7-5-12(19-8(7)2)13(18)17-14-16-10-4-3-9(15)6-11(10)20-14/h3-6H,15H2,1-2H3,(H,16,17,18)
InChIKeyAIBPBAUBGKIJQW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.81
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide

N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65237523) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65237523
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(N)cc3s2)sc1C
InChIInChI=1S/C14H13N3OS2/c1-7-5-12(19-8(7)2)13(18)17-14-16-10-4-3-9(15)6-11(10)20-14/h3-6H,15H2,1-2H3,(H,16,17,18)
InChIKeyAIBPBAUBGKIJQW-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.81
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-methylthiophene-2-carboxamide
CID 24692699
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
CID 16794893
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)-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
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide (CID 65237523) is N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(N)cc3s2)sc1C.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is AIBPBAUBGKIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-7-5-12(19-8(7)2)13(18)17-14-16-10-4-3-9(15)6-11(10)20-14/h3-6H,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.81, 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)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65237523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).