N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide

C16H12Cl2N2O2S — CID 154832723

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)15(21)16(22)19-8-14-20-12-3-1-2-4-13(12)23-14/h1-7,15,21H,8H2,(H,19,22)
InChIKeyAFUVPNDCVKAFMM-UHFFFAOYSA-N
MW367.26 g/mol
LogP3.95
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide (PubChem CID 154832723) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
PubChem CID154832723
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)15(21)16(22)19-8-14-20-12-3-1-2-4-13(12)23-14/h1-7,15,21H,8H2,(H,19,22)
InChIKeyAFUVPNDCVKAFMM-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dichloroaniline
CID 60671399
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
1-(1,3-benzothiazol-2-ylmethyl)-3-[1-(4-chlorophenyl)propyl]urea
CID 55502386
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-2,2-difluoroacetamide
CID 86817053
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
CID 75415093
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-(1,3-benzothiazol-2-ylmethyl)-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzamide
CID 89309793
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide (CID 154832723) is N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide is O=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The InChIKey is AFUVPNDCVKAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-10-5-9(6-11(18)7-10)15(21)16(22)19-8-14-20-12-3-1-2-4-13(12)23-14/h1-7,15,21H,8H2,(H,19,22).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide has a molecular weight of 367.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 154832723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).