2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

C16H15N3O3S — CID 141297595

IUPAC2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-21-12-6-4-10(8-13(12)22-2)18-15(20)9-3-5-11-14(7-9)23-16(17)19-11/h3-8H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyHOCCNNNKJAAKAN-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.15
Rot. Bonds4

About 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 141297595) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID141297595
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-21-12-6-4-10(8-13(12)22-2)18-15(20)9-3-5-11-14(7-9)23-16(17)19-11/h3-8H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyHOCCNNNKJAAKAN-UHFFFAOYSA-N
XLogP3.15
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
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
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 46264270
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
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-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (CID 141297595) is 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1OC.
What is the InChIKey of 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HOCCNNNKJAAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-12-6-4-10(8-13(12)22-2)18-15(20)9-3-5-11-14(7-9)23-16(17)19-11/h3-8H,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 141297595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).