N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide

C18H17ClN2O2S — CID 30307866

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
SMILESCc1cc2sc(NC(=O)C(C)(C)Oc3ccccc3)nc2cc1Cl
InChIInChI=1S/C18H17ClN2O2S/c1-11-9-15-14(10-13(11)19)20-17(24-15)21-16(22)18(2,3)23-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyRXYAVWVZFJJJSB-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.05
Rot. Bonds4

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide (PubChem CID 30307866) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
PubChem CID30307866
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
SMILESCc1cc2sc(NC(=O)C(C)(C)Oc3ccccc3)nc2cc1Cl
InChIInChI=1S/C18H17ClN2O2S/c1-11-9-15-14(10-13(11)19)20-17(24-15)21-16(22)18(2,3)23-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyRXYAVWVZFJJJSB-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

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307879
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
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)naphthalene-1-carboxamide
CID 4502392
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
3-[(2R)-butan-2-yl]oxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 27235818
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide (CID 30307866) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide is Cc1cc2sc(NC(=O)C(C)(C)Oc3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The InChIKey is RXYAVWVZFJJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-11-9-15-14(10-13(11)19)20-17(24-15)21-16(22)18(2,3)23-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide 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 N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30307866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).