N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C20H18N4OS2 — CID 7151039

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14-6-8-15(9-7-14)12-24-11-10-21-20(24)26-13-18(25)23-19-22-16-4-2-3-5-17(16)27-19/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyJXJNHTYSRYOVAC-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.58
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151039) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151039
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14-6-8-15(9-7-14)12-24-11-10-21-20(24)26-13-18(25)23-19-22-16-4-2-3-5-17(16)27-19/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyJXJNHTYSRYOVAC-UHFFFAOYSA-N
XLogP4.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.58
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-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151039) is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is Cc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is JXJNHTYSRYOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14-6-8-15(9-7-14)12-24-11-10-21-20(24)26-13-18(25)23-19-22-16-4-2-3-5-17(16)27-19/h2-11H,12-13H2,1H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 394.53 g/mol, XLogP of 4.58, 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-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).