N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C19H25N5OS — CID 91795590

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)c1scc2c1CCCC2
InChIInChI=1S/C19H25N5OS/c25-18(17-16-5-2-1-4-15(16)14-26-17)20-8-9-23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,25)
InChIKeyIAOFLSLYBWCASL-UHFFFAOYSA-N
MW371.51 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 91795590) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID91795590
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)c1scc2c1CCCC2
InChIInChI=1S/C19H25N5OS/c25-18(17-16-5-2-1-4-15(16)14-26-17)20-8-9-23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,25)
InChIKeyIAOFLSLYBWCASL-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide with MolForge

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Related Compounds

3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55933838
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566
1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55933195
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55930778
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 91795590) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)c1scc2c1CCCC2.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is IAOFLSLYBWCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-18(17-16-5-2-1-4-15(16)14-26-17)20-8-9-23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,25).
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 91795590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).