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

C15H10N4O2S2 — CID 91814331

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C15H10N4O2S2/c1-8-16-13(21-19-8)9-6-7-22-14(9)18-12(20)15-17-10-4-2-3-5-11(10)23-15/h2-7H,1H3,(H,18,20)
InChIKeyIANVSTMWQJBKNN-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-2-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 91814331) 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-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID91814331
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-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C15H10N4O2S2/c1-8-16-13(21-19-8)9-6-7-22-14(9)18-12(20)15-17-10-4-2-3-5-11(10)23-15/h2-7H,1H3,(H,18,20)
InChIKeyIANVSTMWQJBKNN-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-6-carboxamide
CID 86264843
2-ethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 86264847
methyl 3-[[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]amino]propanoate
CID 121464857
N-[3-(ethylcarbamoylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 86582594
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814332
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2,6-difluorobenzamide
CID 44949763
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate
CID 86582593
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 121464850

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-2-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (CID 91814331) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide is Cc1noc(-c2ccsc2NC(=O)c2nc3ccccc3s2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is IANVSTMWQJBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-8-16-13(21-19-8)9-6-7-22-14(9)18-12(20)15-17-10-4-2-3-5-11(10)23-15/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-2-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-1,3-benzothiazole-2-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-2-carboxamide is sourced from PubChem (CID 91814331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).