(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C21H23N3OS — CID 53191547

IUPAC(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C21H23N3OS/c1-15-4-2-3-5-18(15)22-8-10-23(11-9-22)21(25)19-12-16-13-24(17-6-7-17)14-20(16)26-19/h2-5,12-14,17H,6-11H2,1H3
InChIKeyOAFILLNCFMHOFD-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.31
Rot. Bonds3

About (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 53191547) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID53191547
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C21H23N3OS/c1-15-4-2-3-5-18(15)22-8-10-23(11-9-22)21(25)19-12-16-13-24(17-6-7-17)14-20(16)26-19/h2-5,12-14,17H,6-11H2,1H3
InChIKeyOAFILLNCFMHOFD-UHFFFAOYSA-N
XLogP4.31
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 53191547) is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is OAFILLNCFMHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-4-2-3-5-18(15)22-8-10-23(11-9-22)21(25)19-12-16-13-24(17-6-7-17)14-20(16)26-19/h2-5,12-14,17H,6-11H2,1H3.
What are the key properties of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 365.50 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53191547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).