2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide

C19H18ClN3O2S2 — CID 4000590

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18ClN3O2S2/c20-13-5-6-16(23-7-9-25-10-8-23)15(11-13)21-18(24)12-26-19-22-14-3-1-2-4-17(14)27-19/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyXMHIESNQEJBSJI-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.52
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide (PubChem CID 4000590) has the molecular formula C19H18ClN3O2S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
PubChem CID4000590
Molecular FormulaC19H18ClN3O2S2
Molecular Weight419.96 g/mol
Exact Mass419.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18ClN3O2S2/c20-13-5-6-16(23-7-9-25-10-8-23)15(11-13)21-18(24)12-26-19-22-14-3-1-2-4-17(14)27-19/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyXMHIESNQEJBSJI-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269601
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 46791311
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide
CID 2357853
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide
CID 4026581
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3525490

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide (CID 4000590) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is XMHIESNQEJBSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S2/c20-13-5-6-16(23-7-9-25-10-8-23)15(11-13)21-18(24)12-26-19-22-14-3-1-2-4-17(14)27-19/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 419.96 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4000590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).