2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C19H15ClN4OS2 — CID 4147061

IUPAC2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-7-15-16(10-12)27-18(22-15)23-17(25)11-26-19-21-8-9-24(19)14-5-3-13(20)4-6-14/h2-10H,11H2,1H3,(H,22,23,25)
InChIKeyOJZCWGXGMBNUKZ-UHFFFAOYSA-N
MW414.94 g/mol
LogP5.17
Rot. Bonds5

About 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4147061) has the molecular formula C19H15ClN4OS2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID4147061
Molecular FormulaC19H15ClN4OS2
Molecular Weight414.94 g/mol
Exact Mass414.04
IUPAC Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-7-15-16(10-12)27-18(22-15)23-17(25)11-26-19-21-8-9-24(19)14-5-3-13(20)4-6-14/h2-10H,11H2,1H3,(H,22,23,25)
InChIKeyOJZCWGXGMBNUKZ-UHFFFAOYSA-N
XLogP5.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 4147061) is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nccn3-c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OJZCWGXGMBNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS2/c1-12-2-7-15-16(10-12)27-18(22-15)23-17(25)11-26-19-21-8-9-24(19)14-5-3-13(20)4-6-14/h2-10H,11H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 414.94 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4147061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).