N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide

C21H20N4OS — CID 86860575

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H20N4OS/c1-15(21-24-18-4-2-3-5-19(18)27-21)12-23-20(26)17-8-6-16(7-9-17)13-25-11-10-22-14-25/h2-11,14-15H,12-13H2,1H3,(H,23,26)
InChIKeyLTJGWRQWPYHDQV-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.07
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 86860575) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID86860575
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H20N4OS/c1-15(21-24-18-4-2-3-5-19(18)27-21)12-23-20(26)17-8-6-16(7-9-17)13-25-11-10-22-14-25/h2-11,14-15H,12-13H2,1H3,(H,23,26)
InChIKeyLTJGWRQWPYHDQV-UHFFFAOYSA-N
XLogP4.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-methyl-4-nitrobenzamide
CID 86858155
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86860597
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
2-[3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550227
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide (CID 86860575) is N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide is CC(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is LTJGWRQWPYHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-15(21-24-18-4-2-3-5-19(18)27-21)12-23-20(26)17-8-6-16(7-9-17)13-25-11-10-22-14-25/h2-11,14-15H,12-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 376.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86860575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).