3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C19H18N4O3S — CID 35983210

IUPAC3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C19H18N4O3S/c1-10-4-5-16-17(6-10)27-19(22-16)23-18(26)13-7-14(20-11(2)24)9-15(8-13)21-12(3)25/h4-9H,1-3H3,(H,20,24)(H,21,25)(H,22,23,26)
InChIKeyWBTMGFYDTPTKFM-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.77
Rot. Bonds4

About 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 35983210) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID35983210
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C19H18N4O3S/c1-10-4-5-16-17(6-10)27-19(22-16)23-18(26)13-7-14(20-11(2)24)9-15(8-13)21-12(3)25/h4-9H,1-3H3,(H,20,24)(H,21,25)(H,22,23,26)
InChIKeyWBTMGFYDTPTKFM-UHFFFAOYSA-N
XLogP3.77
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
[4-[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]phenyl] acetate
CID 2344214

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 35983210) is 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3ccc(C)cc3s2)c1.
What is the InChIKey of 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WBTMGFYDTPTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10-4-5-16-17(6-10)27-19(22-16)23-18(26)13-7-14(20-11(2)24)9-15(8-13)21-12(3)25/h4-9H,1-3H3,(H,20,24)(H,21,25)(H,22,23,26).
What are the key properties of 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 35983210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).