(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

C18H25N3OS — CID 53191630

IUPAC(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C18H25N3OS/c1-2-19-7-9-20(10-8-19)18(22)16-11-14-12-21(13-17(14)23-16)15-5-3-4-6-15/h11-13,15H,2-10H2,1H3
InChIKeyZRTLNPBMFIRSCV-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.60
Rot. Bonds3

About (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 53191630) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID53191630
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C18H25N3OS/c1-2-19-7-9-20(10-8-19)18(22)16-11-14-12-21(13-17(14)23-16)15-5-3-4-6-15/h11-13,15H,2-10H2,1H3
InChIKeyZRTLNPBMFIRSCV-UHFFFAOYSA-N
XLogP3.60
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53191471
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 87054456
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
(4-ethylpiperazin-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233410
(4-ethylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233412
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
(4-ethylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 1082719
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(5-ethyl-1-benzothiophen-2-yl)methanone
CID 70866559
(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107021585

Frequently Asked Questions

What is the IUPAC name of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 53191630) is (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ZRTLNPBMFIRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-19-7-9-20(10-8-19)18(22)16-11-14-12-21(13-17(14)23-16)15-5-3-4-6-15/h11-13,15H,2-10H2,1H3.
What are the key properties of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 331.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 53191630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).