2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide

C18H19N3O2S — CID 110451687

IUPAC2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)23-13-7-5-12(6-8-13)20-16(22)11-4-9-14-15(10-11)24-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyQRXAAPBDZZVJLS-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.31
Rot. Bonds3

About 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 110451687) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID110451687
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)23-13-7-5-12(6-8-13)20-16(22)11-4-9-14-15(10-11)24-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyQRXAAPBDZZVJLS-UHFFFAOYSA-N
XLogP4.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284
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-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide (CID 110451687) is 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide is CC(C)(C)Oc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QRXAAPBDZZVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)23-13-7-5-12(6-8-13)20-16(22)11-4-9-14-15(10-11)24-17(19)21-14/h4-10H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).