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

C17H17N3O3S — CID 91680609

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-9-6-11(8-14-15(9)20-17(18)24-14)19-16(21)10-4-5-12(22-2)13(7-10)23-3/h4-8H,1-3H3,(H2,18,20)(H,19,21)
InChIKeyDWAHIFWFNUEGOJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.46
Rot. Bonds4

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

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide (PubChem CID 91680609) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
PubChem CID91680609
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-9-6-11(8-14-15(9)20-17(18)24-14)19-16(21)10-4-5-12(22-2)13(7-10)23-3/h4-8H,1-3H3,(H2,18,20)(H,19,21)
InChIKeyDWAHIFWFNUEGOJ-UHFFFAOYSA-N
XLogP3.46
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 131891713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide (CID 91680609) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1OC.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide?
The InChIKey is DWAHIFWFNUEGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-6-11(8-14-15(9)20-17(18)24-14)19-16(21)10-4-5-12(22-2)13(7-10)23-3/h4-8H,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide has a molecular weight of 343.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 91680609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).