N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide

C16H15N3OS — CID 94675029

IUPACN-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-10-3-5-11(6-4-10)15(20)18-12-7-8-13-14(9-12)21-16(17)19-13/h3-9H,2H2,1H3,(H2,17,19)(H,18,20)
InChIKeyIWJYAZWIUMEQRW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.69
Rot. Bonds3

About N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide

N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide (PubChem CID 94675029) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
PubChem CID94675029
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-10-3-5-11(6-4-10)15(20)18-12-7-8-13-14(9-12)21-16(17)19-13/h3-9H,2H2,1H3,(H2,17,19)(H,18,20)
InChIKeyIWJYAZWIUMEQRW-UHFFFAOYSA-N
XLogP3.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide (CID 94675029) is N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The InChIKey is IWJYAZWIUMEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-10-3-5-11(6-4-10)15(20)18-12-7-8-13-14(9-12)21-16(17)19-13/h3-9H,2H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide is sourced from PubChem (CID 94675029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).