3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide

C18H20N4OS — CID 135120136

IUPAC3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C18H20N4OS/c23-17(9-11-22-12-20-13-4-1-2-6-15(13)22)19-10-8-18-21-14-5-3-7-16(14)24-18/h1-2,4,6,12H,3,5,7-11H2,(H,19,23)
InChIKeyDIXMSGIWUJLUBF-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.73
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide

3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide (PubChem CID 135120136) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
PubChem CID135120136
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C18H20N4OS/c23-17(9-11-22-12-20-13-4-1-2-6-15(13)22)19-10-8-18-21-14-5-3-7-16(14)24-18/h1-2,4,6,12H,3,5,7-11H2,(H,19,23)
InChIKeyDIXMSGIWUJLUBF-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide (CID 135120136) is 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide is O=C(CCn1cnc2ccccc21)NCCc1nc2c(s1)CCC2.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
The InChIKey is DIXMSGIWUJLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17(9-11-22-12-20-13-4-1-2-6-15(13)22)19-10-8-18-21-14-5-3-7-16(14)24-18/h1-2,4,6,12H,3,5,7-11H2,(H,19,23).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 135120136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).