N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide

C17H16ClN3O2S — CID 50881024

IUPACN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-9-7-13-16(24-17(19)20-13)10(2)15(9)21-14(22)8-23-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyNWLSCMCOFBALBG-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.17
Rot. Bonds4

About N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 50881024) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID50881024
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-9-7-13-16(24-17(19)20-13)10(2)15(9)21-14(22)8-23-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyNWLSCMCOFBALBG-UHFFFAOYSA-N
XLogP4.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-2-(4-methoxyphenoxy)acetamide
CID 50880758
2-(4-chloro-3-methylphenoxy)-N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50880946
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]acetamide
CID 50881015
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 50880791
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-2-(4-ethylphenoxy)acetamide
CID 50880907
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]acetamide
CID 50881004
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 50879832
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 50880959

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide (CID 50881024) is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide is Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is NWLSCMCOFBALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-9-7-13-16(24-17(19)20-13)10(2)15(9)21-14(22)8-23-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide?
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 50881024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).