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

C19H16N4OS2 — CID 7150992

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS2/c24-17(22-18-21-15-8-4-5-9-16(15)26-18)13-25-19-20-10-11-23(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22,24)
InChIKeyAUKQQQADWMRAEC-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.27
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide (PubChem CID 7150992) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
PubChem CID7150992
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS2/c24-17(22-18-21-15-8-4-5-9-16(15)26-18)13-25-19-20-10-11-23(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22,24)
InChIKeyAUKQQQADWMRAEC-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.27
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-benzylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide (CID 7150992) is N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1Cc1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The InChIKey is AUKQQQADWMRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c24-17(22-18-21-15-8-4-5-9-16(15)26-18)13-25-19-20-10-11-23(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide has a molecular weight of 380.50 g/mol, XLogP of 4.27, 6 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-benzylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 7150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).