N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide

C24H19N5O2S — CID 20930895

IUPACN-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C24H19N5O2S/c30-22(13-12-21-26-17-8-4-5-9-18(17)27-21)25-16-10-11-19-20(14-16)32-24(28-19)29-23(31)15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyPLJKAKLCCZOYGM-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.00
Rot. Bonds6

About N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide

N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 20930895) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID20930895
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C24H19N5O2S/c30-22(13-12-21-26-17-8-4-5-9-18(17)27-21)25-16-10-11-19-20(14-16)32-24(28-19)29-23(31)15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,30)(H,26,27)(H,28,29,31)
InChIKeyPLJKAKLCCZOYGM-UHFFFAOYSA-N
XLogP5.00
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 34035103
N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46290872
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
2-anilino-N-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117093180
3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 32519791
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide (CID 20930895) is N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is PLJKAKLCCZOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c30-22(13-12-21-26-17-8-4-5-9-18(17)27-21)25-16-10-11-19-20(14-16)32-24(28-19)29-23(31)15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,30)(H,26,27)(H,28,29,31).
What are the key properties of N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 441.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 20930895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).