N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C16H16N2OS2 — CID 53268944

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C16H16N2OS2/c1-16(2,3)10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-4-8-20-12/h4-9H,1-3H3,(H,17,18,19)
InChIKeyUTGVERRFKWTUBD-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.91
Rot. Bonds2

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 53268944) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID53268944
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C16H16N2OS2/c1-16(2,3)10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-4-8-20-12/h4-9H,1-3H3,(H,17,18,19)
InChIKeyUTGVERRFKWTUBD-UHFFFAOYSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
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
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4139191
6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 58672198
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 53268856
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 53268886
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 53268944) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CC(C)(C)c1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is UTGVERRFKWTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-16(2,3)10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-4-8-20-12/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53268944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).