N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide

C14H13ClN4OS — CID 164625718

IUPACN-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(Cl)n1C)c1ccc2sncc2c1
InChIInChI=1S/C14H13ClN4OS/c1-9(20)19(8-14-16-7-13(15)18(14)2)11-3-4-12-10(5-11)6-17-21-12/h3-7H,8H2,1-2H3
InChIKeyXWFSGNBBXQZLJK-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.24
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide

N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 164625718) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide
PubChem CID164625718
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC NameN-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(Cl)n1C)c1ccc2sncc2c1
InChIInChI=1S/C14H13ClN4OS/c1-9(20)19(8-14-16-7-13(15)18(14)2)11-3-4-12-10(5-11)6-17-21-12/h3-7H,8H2,1-2H3
InChIKeyXWFSGNBBXQZLJK-UHFFFAOYSA-N
XLogP3.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide (CID 164625718) is N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(Cl)n1C)c1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is XWFSGNBBXQZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-9(20)19(8-14-16-7-13(15)18(14)2)11-3-4-12-10(5-11)6-17-21-12/h3-7H,8H2,1-2H3.
What are the key properties of N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide?
N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 320.81 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 164625718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).