N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide

C18H17ClN2O3S — CID 18932064

IUPACN-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
SMILESCOc1cc2sc(COc3ccc(NC(C)=O)c(C)c3)nc2cc1Cl
InChIInChI=1S/C18H17ClN2O3S/c1-10-6-12(4-5-14(10)20-11(2)22)24-9-18-21-15-7-13(19)16(23-3)8-17(15)25-18/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyMGYSBXKIRHNMMY-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.80
Rot. Bonds5

About N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide

N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide (PubChem CID 18932064) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
PubChem CID18932064
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
SMILESCOc1cc2sc(COc3ccc(NC(C)=O)c(C)c3)nc2cc1Cl
InChIInChI=1S/C18H17ClN2O3S/c1-10-6-12(4-5-14(10)20-11(2)22)24-9-18-21-15-7-13(19)16(23-3)8-17(15)25-18/h4-8H,9H2,1-3H3,(H,20,22)
InChIKeyMGYSBXKIRHNMMY-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
CID 18932173
N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
CID 18932476
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39107200
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide (CID 18932064) is N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide is COc1cc2sc(COc3ccc(NC(C)=O)c(C)c3)nc2cc1Cl.
What is the InChIKey of N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide?
The InChIKey is MGYSBXKIRHNMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-10-6-12(4-5-14(10)20-11(2)22)24-9-18-21-15-7-13(19)16(23-3)8-17(15)25-18/h4-8H,9H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide?
N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide is sourced from PubChem (CID 18932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).