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

C20H18N4O2S2 — CID 7151058

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-26-15-8-6-14(7-9-15)12-24-11-10-21-20(24)27-13-18(25)23-19-22-16-4-2-3-5-17(16)28-19/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyASMPVLILIBMXTI-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.28
Rot. Bonds7

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

N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151058) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151058
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-26-15-8-6-14(7-9-15)12-24-11-10-21-20(24)27-13-18(25)23-19-22-16-4-2-3-5-17(16)28-19/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyASMPVLILIBMXTI-UHFFFAOYSA-N
XLogP4.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151058) is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is COc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is ASMPVLILIBMXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-26-15-8-6-14(7-9-15)12-24-11-10-21-20(24)27-13-18(25)23-19-22-16-4-2-3-5-17(16)28-19/h2-11H,12-13H2,1H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).