N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide

C15H11ClN2OS — CID 77106663

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)9-14(19)18-15-17-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18,19)
InChIKeyBMKZSCWTKMUFTI-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.13
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 77106663) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
PubChem CID77106663
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)9-14(19)18-15-17-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18,19)
InChIKeyBMKZSCWTKMUFTI-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide (CID 77106663) is N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is BMKZSCWTKMUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)9-14(19)18-15-17-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 302.79 g/mol, XLogP of 4.13, 3 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-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 77106663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).