2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide

C19H16N4O2S — CID 50957135

IUPAC2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
SMILESCc1nc2ccc(-n3ccnc3-c3cccc(OCC(N)=O)c3)cc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-22-16-6-5-14(10-17(16)26-12)23-8-7-21-19(23)13-3-2-4-15(9-13)25-11-18(20)24/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyPDSDFXBQWUBKLQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.32
Rot. Bonds5

About 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide

2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide (PubChem CID 50957135) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
PubChem CID50957135
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
SMILESCc1nc2ccc(-n3ccnc3-c3cccc(OCC(N)=O)c3)cc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-22-16-6-5-14(10-17(16)26-12)23-8-7-21-19(23)13-3-2-4-15(9-13)25-11-18(20)24/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyPDSDFXBQWUBKLQ-UHFFFAOYSA-N
XLogP3.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
2-[3-[3-(1-tetraphenylen-2-ylimidazol-2-yl)phenoxy]phenyl]pyridine
CID 164939634
3-[1-(2-methyl-1,3-benzothiazol-6-yl)-5-phenylpyrrol-2-yl]propanoic acid
CID 18891643
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide
CID 95873148
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 48671829
2-methyl-1,3-benzothiazole;urea
CID 161197769
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 134048765
2-[2-chloro-4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]phenoxy]acetamide
CID 138808056

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide (CID 50957135) is 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide is Cc1nc2ccc(-n3ccnc3-c3cccc(OCC(N)=O)c3)cc2s1.
What is the InChIKey of 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide?
The InChIKey is PDSDFXBQWUBKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-22-16-6-5-14(10-17(16)26-12)23-8-7-21-19(23)13-3-2-4-15(9-13)25-11-18(20)24/h2-10H,11H2,1H3,(H2,20,24).
What are the key properties of 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide?
2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 50957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).