N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide

C16H12Cl2N2OS — CID 2557871

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1nc2ccccc2s1
InChIInChI=1S/C16H12Cl2N2OS/c17-11-4-3-5-12(18)10(11)8-15(21)19-9-16-20-13-6-1-2-7-14(13)22-16/h1-7H,8-9H2,(H,19,21)
InChIKeyGVGHVABBUIYYMD-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.46
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide (PubChem CID 2557871) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
PubChem CID2557871
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1nc2ccccc2s1
InChIInChI=1S/C16H12Cl2N2OS/c17-11-4-3-5-12(18)10(11)8-15(21)19-9-16-20-13-6-1-2-7-14(13)22-16/h1-7H,8-9H2,(H,19,21)
InChIKeyGVGHVABBUIYYMD-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
N-(1,3-benzothiazol-2-ylmethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 18121363
1,3-benzothiazol-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
CID 2391041
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide (CID 2557871) is N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is GVGHVABBUIYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c17-11-4-3-5-12(18)10(11)8-15(21)19-9-16-20-13-6-1-2-7-14(13)22-16/h1-7H,8-9H2,(H,19,21).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 351.26 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 2557871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).