N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide

C17H16N2OS2 — CID 119099273

IUPACN-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC1(c2cccs2)CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c20-15(16-18-12-6-1-2-7-13(12)22-16)19-17(9-3-4-10-17)14-8-5-11-21-14/h1-2,5-8,11H,3-4,9-10H2,(H,19,20)
InChIKeyBOZUNFIKNVTMQO-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.56
Rot. Bonds3

About N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide

N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 119099273) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide
PubChem CID119099273
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC1(c2cccs2)CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c20-15(16-18-12-6-1-2-7-13(12)22-16)19-17(9-3-4-10-17)14-8-5-11-21-14/h1-2,5-8,11H,3-4,9-10H2,(H,19,20)
InChIKeyBOZUNFIKNVTMQO-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
7-methoxy-N-(1-thiophen-2-ylcyclopentyl)-1-benzofuran-2-carboxamide
CID 121016532
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 95379399
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 146080771
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 71808130

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide (CID 119099273) is N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide is O=C(NC1(c2cccs2)CCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is BOZUNFIKNVTMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c20-15(16-18-12-6-1-2-7-13(12)22-16)19-17(9-3-4-10-17)14-8-5-11-21-14/h1-2,5-8,11H,3-4,9-10H2,(H,19,20).
What are the key properties of N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide?
N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 119099273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).