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

C18H19N3OS — CID 50882062

IUPACN-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C18H19N3OS/c1-18(2,3)12-6-4-11(5-7-12)16(22)20-13-8-9-14-15(10-13)23-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyDVTBTFORGMKVKN-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.43
Rot. Bonds2

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

N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide (PubChem CID 50882062) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
PubChem CID50882062
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C18H19N3OS/c1-18(2,3)12-6-4-11(5-7-12)16(22)20-13-8-9-14-15(10-13)23-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyDVTBTFORGMKVKN-UHFFFAOYSA-N
XLogP4.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.43
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)benzamide
CID 823541
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
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
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide (CID 50882062) is N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide?
The InChIKey is DVTBTFORGMKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-18(2,3)12-6-4-11(5-7-12)16(22)20-13-8-9-14-15(10-13)23-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide?
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide has a molecular weight of 325.44 g/mol, XLogP of 4.43, 2 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-tert-butylbenzamide is sourced from PubChem (CID 50882062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).