N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C18H14N4OS2 — CID 4104270

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS2/c23-16(21-17-20-14-8-4-5-9-15(14)25-17)12-24-18-19-10-11-22(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21,23)
InChIKeyJLCJFKFDDDHCIS-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.21
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 4104270) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID4104270
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS2/c23-16(21-17-20-14-8-4-5-9-15(14)25-17)12-24-18-19-10-11-22(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21,23)
InChIKeyJLCJFKFDDDHCIS-UHFFFAOYSA-N
XLogP4.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 4104270) is N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1-c1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is JLCJFKFDDDHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c23-16(21-17-20-14-8-4-5-9-15(14)25-17)12-24-18-19-10-11-22(18)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 366.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4104270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).