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

C20H19N5O2S — CID 50765768

IUPAC3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)CCn3cnc4ccccc43)cc2s1
InChIInChI=1S/C20H19N5O2S/c1-2-18(26)24-20-23-15-8-7-13(11-17(15)28-20)22-19(27)9-10-25-12-21-14-5-3-4-6-16(14)25/h3-8,11-12H,2,9-10H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyAVRKHNLALLQXSB-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.02
Rot. Bonds6

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

3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide (PubChem CID 50765768) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
PubChem CID50765768
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)CCn3cnc4ccccc43)cc2s1
InChIInChI=1S/C20H19N5O2S/c1-2-18(26)24-20-23-15-8-7-13(11-17(15)28-20)22-19(27)9-10-25-12-21-14-5-3-4-6-16(14)25/h3-8,11-12H,2,9-10H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyAVRKHNLALLQXSB-UHFFFAOYSA-N
XLogP4.02
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
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CID 36842808
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 86909345
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-(1,3-benzothiazol-2-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064041
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23911692
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
3-(benzimidazol-1-yl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 60573642

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide (CID 50765768) is 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide is CCC(=O)Nc1nc2ccc(NC(=O)CCn3cnc4ccccc43)cc2s1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide?
The InChIKey is AVRKHNLALLQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-2-18(26)24-20-23-15-8-7-13(11-17(15)28-20)22-19(27)9-10-25-12-21-14-5-3-4-6-16(14)25/h3-8,11-12H,2,9-10H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide has a molecular weight of 393.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide is sourced from PubChem (CID 50765768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).