N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H14N2OS2 — CID 8780534

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-9-17-12-6-5-11(8-14(12)20-9)18-16(19)15-7-10-3-2-4-13(10)21-15/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyUZRVGLRZERJGHI-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.41
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 8780534) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID8780534
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-9-17-12-6-5-11(8-14(12)20-9)18-16(19)15-7-10-3-2-4-13(10)21-15/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyUZRVGLRZERJGHI-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4877035
N-[4-(2-methylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 26286826
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 37438512
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255
N-(6-chloro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7942510
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
N-[4-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792801
N-(3-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7959040
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
5-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4040467

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 8780534) is N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is UZRVGLRZERJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-9-17-12-6-5-11(8-14(12)20-9)18-16(19)15-7-10-3-2-4-13(10)21-15/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 8780534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).