2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide

C19H19ClN2O4S — CID 43980508

IUPAC2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCOc1cc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2cc1OC
InChIInChI=1S/C19H19ClN2O4S/c1-19(2,26-12-7-5-11(20)6-8-12)17(23)22-18-21-13-9-14(24-3)15(25-4)10-16(13)27-18/h5-10H,1-4H3,(H,21,22,23)
InChIKeyVDFCFTNTVKRHJU-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 43980508) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
PubChem CID43980508
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCOc1cc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2cc1OC
InChIInChI=1S/C19H19ClN2O4S/c1-19(2,26-12-7-5-11(20)6-8-12)17(23)22-18-21-13-9-14(24-3)15(25-4)10-16(13)27-18/h5-10H,1-4H3,(H,21,22,23)
InChIKeyVDFCFTNTVKRHJU-UHFFFAOYSA-N
XLogP4.76
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128894
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471
N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680717
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide (CID 43980508) is 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide is COc1cc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is VDFCFTNTVKRHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-19(2,26-12-7-5-11(20)6-8-12)17(23)22-18-21-13-9-14(24-3)15(25-4)10-16(13)27-18/h5-10H,1-4H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 406.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 43980508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).