N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide

C19H23N5O2S — CID 166233229

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(Cc3ccon3)CC2)sc2c1CCC2
InChIInChI=1S/C19H23N5O2S/c20-12-16-15-2-1-3-17(15)27-19(16)21-18(25)4-6-23-7-9-24(10-8-23)13-14-5-11-26-22-14/h5,11H,1-4,6-10,13H2,(H,21,25)
InChIKeyZOAJTQBSCROJSA-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.24
Rot. Bonds6

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 166233229) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide
PubChem CID166233229
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(Cc3ccon3)CC2)sc2c1CCC2
InChIInChI=1S/C19H23N5O2S/c20-12-16-15-2-1-3-17(15)27-19(16)21-18(25)4-6-23-7-9-24(10-8-23)13-14-5-11-26-22-14/h5,11H,1-4,6-10,13H2,(H,21,25)
InChIKeyZOAJTQBSCROJSA-UHFFFAOYSA-N
XLogP2.24
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 112798733
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 55504345
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 8688142
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CID 112826194
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CID 8703871
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-1-yl)propanamide;oxalic acid
CID 45042536
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680383
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 8546057
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
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N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 24589097
3-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 55354571
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 55915522

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide (CID 166233229) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide is N#Cc1c(NC(=O)CCN2CCN(Cc3ccon3)CC2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is ZOAJTQBSCROJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c20-12-16-15-2-1-3-17(15)27-19(16)21-18(25)4-6-23-7-9-24(10-8-23)13-14-5-11-26-22-14/h5,11H,1-4,6-10,13H2,(H,21,25).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 385.49 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 166233229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).