(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C17H15ClN4OS — CID 42023409

IUPAC(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-15-12-3-1-2-4-13(12)24-16(15)17(23)22-9-7-21(8-10-22)14-11-19-5-6-20-14/h1-6,11H,7-10H2
InChIKeyDNRWNDMBFVPHJY-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.31
Rot. Bonds2

About (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023409) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023409
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-15-12-3-1-2-4-13(12)24-16(15)17(23)22-9-7-21(8-10-22)14-11-19-5-6-20-14/h1-6,11H,7-10H2
InChIKeyDNRWNDMBFVPHJY-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023409) is (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1sc2ccccc2c1Cl)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DNRWNDMBFVPHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-15-12-3-1-2-4-13(12)24-16(15)17(23)22-9-7-21(8-10-22)14-11-19-5-6-20-14/h1-6,11H,7-10H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 358.85 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).