(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H18N4OS — CID 15950930

IUPAC(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-18(17-8-7-16(25-17)15-5-2-1-3-6-15)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-10H,11-14H2
InChIKeyOPSHOHDSUWLCND-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.17
Rot. Bonds3

About (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15950930) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15950930
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-18(17-8-7-16(25-17)15-5-2-1-3-6-15)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-10H,11-14H2
InChIKeyOPSHOHDSUWLCND-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 46651235
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
[5-(4-chlorophenyl)sulfonylthiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53124684
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 36676092
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018

Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15950930) is (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)s1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OPSHOHDSUWLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(17-8-7-16(25-17)15-5-2-1-3-6-15)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-10H,11-14H2.
What are the key properties of (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 350.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15950930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).