N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide

C18H17ClN2O3S — CID 8582409

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-7-3-11(9-15(14)24-2)4-8-17(22)21-18-20-13-6-5-12(19)10-16(13)25-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22)
InChIKeyLXFKEVQQSKQXPR-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.54
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 8582409) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID8582409
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-7-3-11(9-15(14)24-2)4-8-17(22)21-18-20-13-6-5-12(19)10-16(13)25-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22)
InChIKeyLXFKEVQQSKQXPR-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
Casein kinase 1|A-IN-3
CID 670753
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 2597029
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 7719944
N-(6-trifluoromethoxybenzothiazole-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27899321
6-chloro-N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)benzo[d]thiazol-2-amine
CID 46882516
N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 76853170
N-(6-trifluoromethylbenzothiazole-2-yl)-2-(4-methoxyphenyl)acetamide
CID 77106257
N-(6-methoxybenzothiazole-2-yl)-2-(3-chlorophenyl)acetamide
CID 77106871

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide (CID 8582409) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is LXFKEVQQSKQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-23-14-7-3-11(9-15(14)24-2)4-8-17(22)21-18-20-13-6-5-12(19)10-16(13)25-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 376.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 8582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).