1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one

C19H16N4O2S — CID 148516350

IUPAC1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one
SMILESCc1ccc(-c2nnc(CC(=O)Cc3ccc4nc(N)sc4c3)o2)cc1
InChIInChI=1S/C19H16N4O2S/c1-11-2-5-13(6-3-11)18-23-22-17(25-18)10-14(24)8-12-4-7-15-16(9-12)26-19(20)21-15/h2-7,9H,8,10H2,1H3,(H2,20,21)
InChIKeyMNMYJOCMYUWWPI-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one

1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one (PubChem CID 148516350) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one
PubChem CID148516350
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one
SMILESCc1ccc(-c2nnc(CC(=O)Cc3ccc4nc(N)sc4c3)o2)cc1
InChIInChI=1S/C19H16N4O2S/c1-11-2-5-13(6-3-11)18-23-22-17(25-18)10-14(24)8-12-4-7-15-16(9-12)26-19(20)21-15/h2-7,9H,8,10H2,1H3,(H2,20,21)
InChIKeyMNMYJOCMYUWWPI-UHFFFAOYSA-N
XLogP3.59
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 137463555
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
5-(2-amino-1,3-benzothiazol-6-yl)pentan-2-one
CID 116999772
2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 137463863
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110522643
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-[(2-amino-1,3-benzothiazol-6-yl)methyl]butanoic acid
CID 116999798
4-(2-amino-1,3-benzothiazol-6-yl)-3,3-dimethylbutanoic acid
CID 116999762

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one?
The IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one (CID 148516350) is 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one is Cc1ccc(-c2nnc(CC(=O)Cc3ccc4nc(N)sc4c3)o2)cc1.
What is the InChIKey of 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one?
The InChIKey is MNMYJOCMYUWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-2-5-13(6-3-11)18-23-22-17(25-18)10-14(24)8-12-4-7-15-16(9-12)26-19(20)21-15/h2-7,9H,8,10H2,1H3,(H2,20,21).
What are the key properties of 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one?
1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one has a molecular weight of 364.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one is sourced from PubChem (CID 148516350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).