2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C18H17ClN2O2S — CID 1308911

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C18H17ClN2O2S/c1-11-4-9-14-15(10-11)24-17(20-14)21-16(22)18(2,3)23-13-7-5-12(19)6-8-13/h4-10H,1-3H3,(H,20,21,22)
InChIKeyFZEDQMJQPLKXRH-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 1308911) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID1308911
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C18H17ClN2O2S/c1-11-4-9-14-15(10-11)24-17(20-14)21-16(22)18(2,3)23-13-7-5-12(19)6-8-13/h4-10H,1-3H3,(H,20,21,22)
InChIKeyFZEDQMJQPLKXRH-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128894
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680717
2-(4-tert-butylphenoxy)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 17336266
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-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 3953542
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 1308911) is 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FZEDQMJQPLKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-11-4-9-14-15(10-11)24-17(20-14)21-16(22)18(2,3)23-13-7-5-12(19)6-8-13/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 360.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1308911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).