2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

C19H19ClN2O3S — CID 19220108

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)C(C)Oc3cc(C)c(Cl)c(C)c3)nc12
InChIInChI=1S/C19H19ClN2O3S/c1-10-8-13(9-11(2)16(10)20)25-12(3)18(23)22-19-21-17-14(24-4)6-5-7-15(17)26-19/h5-9,12H,1-4H3,(H,21,22,23)
InChIKeyJBMZMRMWBCJTOB-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 19220108) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID19220108
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)C(C)Oc3cc(C)c(Cl)c(C)c3)nc12
InChIInChI=1S/C19H19ClN2O3S/c1-10-8-13(9-11(2)16(10)20)25-12(3)18(23)22-19-21-17-14(24-4)6-5-7-15(17)26-19/h5-9,12H,1-4H3,(H,21,22,23)
InChIKeyJBMZMRMWBCJTOB-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 837350
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
CID 35577154
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 2968089
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)propanamide
CID 19213791
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 19210259
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
N-[(2S)-1-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55943557

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 19220108) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1cccc2sc(NC(=O)C(C)Oc3cc(C)c(Cl)c(C)c3)nc12.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is JBMZMRMWBCJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-10-8-13(9-11(2)16(10)20)25-12(3)18(23)22-19-21-17-14(24-4)6-5-7-15(17)26-19/h5-9,12H,1-4H3,(H,21,22,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 19220108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).