3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide

C18H16Cl2N2O2S — CID 18854098

IUPAC3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2S/c1-3-6-24-16-12(19)8-11(9-13(16)20)17(23)22-18-21-14-5-4-10(2)7-15(14)25-18/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23)
InChIKeyDVPNSAHMHDGHHS-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.95
Rot. Bonds5

About 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide

3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide (PubChem CID 18854098) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
PubChem CID18854098
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2S/c1-3-6-24-16-12(19)8-11(9-13(16)20)17(23)22-18-21-14-5-4-10(2)7-15(14)25-18/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23)
InChIKeyDVPNSAHMHDGHHS-UHFFFAOYSA-N
XLogP5.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-heptoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18854102
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 17021915
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate
CID 4213659

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide (CID 18854098) is 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The InChIKey is DVPNSAHMHDGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-3-6-24-16-12(19)8-11(9-13(16)20)17(23)22-18-21-14-5-4-10(2)7-15(14)25-18/h4-5,7-9H,3,6H2,1-2H3,(H,21,22,23).
What are the key properties of 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide has a molecular weight of 395.31 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 18854098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).