2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

C17H15ClN2OS2 — CID 2542706

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1
InChIInChI=1S/C17H15ClN2OS2/c1-2-20(13-6-4-3-5-7-13)16(21)11-22-17-19-14-10-12(18)8-9-15(14)23-17/h3-10H,2,11H2,1H3
InChIKeyNNVKEYAGTDREIT-UHFFFAOYSA-N
MW362.91 g/mol
LogP5.09
Rot. Bonds5

About 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide (PubChem CID 2542706) has the molecular formula C17H15ClN2OS2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
PubChem CID2542706
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1
InChIInChI=1S/C17H15ClN2OS2/c1-2-20(13-6-4-3-5-7-13)16(21)11-22-17-19-14-10-12(18)8-9-15(14)23-17/h3-10H,2,11H2,1H3
InChIKeyNNVKEYAGTDREIT-UHFFFAOYSA-N
XLogP5.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.91
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 112779085
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 3923725
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 10500759
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
CID 4687926
N-butan-2-yl-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3940496
2-(1,3-benzothiazol-2-ylsulfanyl)-N-chloro-N-phenylacetamide
CID 89019397
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2359493
tert-butyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 47095527
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3995818
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide (CID 2542706) is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The InChIKey is NNVKEYAGTDREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c1-2-20(13-6-4-3-5-7-13)16(21)11-22-17-19-14-10-12(18)8-9-15(14)23-17/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide has a molecular weight of 362.91 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 2542706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).