4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide

C18H21N5OS — CID 71046359

IUPAC4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C18H21N5OS/c24-18(21-17-12-19-5-6-20-17)23-9-7-22(8-10-23)13-15-11-14-3-1-2-4-16(14)25-15/h1-6,12,15H,7-11,13H2,(H,20,21,24)
InChIKeyTVUWGXYJAOYIKP-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.34
Rot. Bonds3

About 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide

4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 71046359) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID71046359
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C18H21N5OS/c24-18(21-17-12-19-5-6-20-17)23-9-7-22(8-10-23)13-15-11-14-3-1-2-4-16(14)25-15/h1-6,12,15H,7-11,13H2,(H,20,21,24)
InChIKeyTVUWGXYJAOYIKP-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide (CID 71046359) is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide is O=C(Nc1cnccn1)N1CCN(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is TVUWGXYJAOYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c24-18(21-17-12-19-5-6-20-17)23-9-7-22(8-10-23)13-15-11-14-3-1-2-4-16(14)25-15/h1-6,12,15H,7-11,13H2,(H,20,21,24).
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide?
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71046359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).