2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide

C17H15N3O4S — CID 173125975

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(N)=O)cccc3s2)cc1OC
InChIInChI=1S/C17H15N3O4S/c1-23-11-7-6-9(8-12(11)24-2)16(22)20-17-19-14-10(15(18)21)4-3-5-13(14)25-17/h3-8H,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyUTTLUWZPXUUIMK-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.66
Rot. Bonds5

About 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide (PubChem CID 173125975) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
PubChem CID173125975
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(N)=O)cccc3s2)cc1OC
InChIInChI=1S/C17H15N3O4S/c1-23-11-7-6-9(8-12(11)24-2)16(22)20-17-19-14-10(15(18)21)4-3-5-13(14)25-17/h3-8H,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyUTTLUWZPXUUIMK-UHFFFAOYSA-N
XLogP2.66
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
methyl 2-(carbamothioylamino)-1,3-benzothiazole-4-carboxylate
CID 30032355
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide (CID 173125975) is 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc3c(C(N)=O)cccc3s2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide?
The InChIKey is UTTLUWZPXUUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-23-11-7-6-9(8-12(11)24-2)16(22)20-17-19-14-10(15(18)21)4-3-5-13(14)25-17/h3-8H,1-2H3,(H2,18,21)(H,19,20,22).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 173125975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).