2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide

C18H17N3O3S — CID 48671829

IUPAC2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc(CC(N)=O)cc3)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-11-20-15-7-4-13(9-16(15)25-11)21-18(23)10-24-14-5-2-12(3-6-14)8-17(19)22/h2-7,9H,8,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyABALABHFJLRAMW-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.65
Rot. Bonds6

About 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide

2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide (PubChem CID 48671829) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
PubChem CID48671829
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc(CC(N)=O)cc3)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-11-20-15-7-4-13(9-16(15)25-11)21-18(23)10-24-14-5-2-12(3-6-14)8-17(19)22/h2-7,9H,8,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyABALABHFJLRAMW-UHFFFAOYSA-N
XLogP2.65
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9428028
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7915185
3-[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]carbamoylamino]ethoxy]phenyl]propanoic acid
CID 57340474
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide (CID 48671829) is 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide is Cc1nc2ccc(NC(=O)COc3ccc(CC(N)=O)cc3)cc2s1.
What is the InChIKey of 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is ABALABHFJLRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-20-15-7-4-13(9-16(15)25-11)21-18(23)10-24-14-5-2-12(3-6-14)8-17(19)22/h2-7,9H,8,10H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 48671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).