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

C14H12N2OS2 — CID 7524846

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3cccs3)sc2cc1C
InChIInChI=1S/C14H12N2OS2/c1-8-6-10-12(7-9(8)2)19-14(15-10)16-13(17)11-4-3-5-18-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGMZHCACVLCCUNJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.23
Rot. Bonds2

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

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7524846) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7524846
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3cccs3)sc2cc1C
InChIInChI=1S/C14H12N2OS2/c1-8-6-10-12(7-9(8)2)19-14(15-10)16-13(17)11-4-3-5-18-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGMZHCACVLCCUNJ-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
CID 46328581
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
butyl 2-(thiophene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 17127785
N-[[2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide
CID 17273939
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4139191
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7524846) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1cc2nc(NC(=O)c3cccs3)sc2cc1C.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GMZHCACVLCCUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-6-10-12(7-9(8)2)19-14(15-10)16-13(17)11-4-3-5-18-11/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7524846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).