5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide

C10H7N5O2S — CID 102790116

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C10H7N5O2S/c11-7(16)8-14-9(17-15-8)4-1-2-5-6(3-4)18-10(12)13-5/h1-3H,(H2,11,16)(H2,12,13)
InChIKeyIKNUNNBPKOQCOT-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.03
Rot. Bonds2

About 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790116) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790116
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C10H7N5O2S/c11-7(16)8-14-9(17-15-8)4-1-2-5-6(3-4)18-10(12)13-5/h1-3H,(H2,11,16)(H2,12,13)
InChIKeyIKNUNNBPKOQCOT-UHFFFAOYSA-N
XLogP1.03
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 65348489
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116701325
6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116740303
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
2-amino-N-(diaminomethylidene)-1,3-benzothiazole-6-carboxamide
CID 15290270
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one
CID 148516350
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790116) is 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(-c2ccc3nc(N)sc3c2)n1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IKNUNNBPKOQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c11-7(16)8-14-9(17-15-8)4-1-2-5-6(3-4)18-10(12)13-5/h1-3H,(H2,11,16)(H2,12,13).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 261.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).