N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

C16H16ClN5O4S2 — CID 46341352

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H16ClN5O4S2/c17-11-1-2-12-13(7-11)27-16(19-12)20-14(23)8-21-9-15(18-10-21)28(24,25)22-3-5-26-6-4-22/h1-2,7,9-10H,3-6,8H2,(H,19,20,23)
InChIKeyOQPYHRZNKHTLQU-UHFFFAOYSA-N
MW441.92 g/mol
LogP1.81
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 46341352) has the molecular formula C16H16ClN5O4S2 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
PubChem CID46341352
Molecular FormulaC16H16ClN5O4S2
Molecular Weight441.92 g/mol
Exact Mass441.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H16ClN5O4S2/c17-11-1-2-12-13(7-11)27-16(19-12)20-14(23)8-21-9-15(18-10-21)28(24,25)22-3-5-26-6-4-22/h1-2,7,9-10H,3-6,8H2,(H,19,20,23)
InChIKeyOQPYHRZNKHTLQU-UHFFFAOYSA-N
XLogP1.81
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947074
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949840
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(4-bromo-2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949786
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332130
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686662
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
CID 18553490
N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949815
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2360430
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (CID 46341352) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is OQPYHRZNKHTLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O4S2/c17-11-1-2-12-13(7-11)27-16(19-12)20-14(23)8-21-9-15(18-10-21)28(24,25)22-3-5-26-6-4-22/h1-2,7,9-10H,3-6,8H2,(H,19,20,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 441.92 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 46341352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).