2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide

C19H19N3O4S — CID 6457255

IUPAC2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1
InChIInChI=1S/C19H19N3O4S/c1-4-16(23)22-19-21-12-9-8-11(10-15(12)27-19)20-18(24)17-13(25-2)6-5-7-14(17)26-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBAWHLYPZTGOPOK-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.91
Rot. Bonds6

About 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide

2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide (PubChem CID 6457255) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
PubChem CID6457255
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1
InChIInChI=1S/C19H19N3O4S/c1-4-16(23)22-19-21-12-9-8-11(10-15(12)27-19)20-18(24)17-13(25-2)6-5-7-14(17)26-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBAWHLYPZTGOPOK-UHFFFAOYSA-N
XLogP3.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325764
3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 17336201
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
5-chloro-2-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide
CID 17313994
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
CID 19629659
N-[6-[(3-methylsulfanylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325771
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
5-bromo-2-chloro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 17313481
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 3160184
4-phenyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide
CID 17098569

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide (CID 6457255) is 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide is CCC(=O)Nc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1.
What is the InChIKey of 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is BAWHLYPZTGOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-4-16(23)22-19-21-12-9-8-11(10-15(12)27-19)20-18(24)17-13(25-2)6-5-7-14(17)26-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide?
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 6457255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).