5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

C14H11BrN2OS2 — CID 60735708

IUPAC5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3csc(Br)c3)sc2c1
InChIInChI=1S/C14H11BrN2OS2/c1-7-3-8(2)12-10(4-7)20-14(16-12)17-13(18)9-5-11(15)19-6-9/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJJJKAJMSVOOFAA-UHFFFAOYSA-N
MW367.29 g/mol
LogP4.99
Rot. Bonds2

About 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (PubChem CID 60735708) has the molecular formula C14H11BrN2OS2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
PubChem CID60735708
Molecular FormulaC14H11BrN2OS2
Molecular Weight367.29 g/mol
Exact Mass365.95
IUPAC Name5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3csc(Br)c3)sc2c1
InChIInChI=1S/C14H11BrN2OS2/c1-7-3-8(2)12-10(4-7)20-14(16-12)17-13(18)9-5-11(15)19-6-9/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJJJKAJMSVOOFAA-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 79693774
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579392
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
CID 747456
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (CID 60735708) is 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is Cc1cc(C)c2nc(NC(=O)c3csc(Br)c3)sc2c1.
What is the InChIKey of 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is JJJKAJMSVOOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS2/c1-7-3-8(2)12-10(4-7)20-14(16-12)17-13(18)9-5-11(15)19-6-9/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 60735708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).