N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide

C15H10N4O2S2 — CID 86264843

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H10N4O2S2/c1-8-17-14(21-19-8)10-4-5-22-15(10)18-13(20)9-2-3-11-12(6-9)23-7-16-11/h2-7H,1H3,(H,18,20)
InChIKeyBXURVMCRTWPUMK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.97
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 86264843) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID86264843
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H10N4O2S2/c1-8-17-14(21-19-8)10-4-5-22-15(10)18-13(20)9-2-3-11-12(6-9)23-7-16-11/h2-7H,1H3,(H,18,20)
InChIKeyBXURVMCRTWPUMK-UHFFFAOYSA-N
XLogP3.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 91814331
2-ethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 86264847
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814341
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 18147223
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814332
N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 112691395
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-(2-propan-2-yltriazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 162633593
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide (CID 86264843) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide is Cc1noc(-c2ccsc2NC(=O)c2ccc3ncsc3c2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is BXURVMCRTWPUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-8-17-14(21-19-8)10-4-5-22-15(10)18-13(20)9-2-3-11-12(6-9)23-7-16-11/h2-7H,1H3,(H,18,20).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 86264843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).