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

C15H18N4OS — CID 17249502

IUPAC(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C15H18N4OS/c1-2-12-4-5-13(21-12)14(20)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3
InChIKeyPBWCEOUNVOWJSW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.06
Rot. Bonds3

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

(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 17249502) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID17249502
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C15H18N4OS/c1-2-12-4-5-13(21-12)14(20)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3
InChIKeyPBWCEOUNVOWJSW-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.06
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
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
[5-(4-chlorophenyl)sulfonylthiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53124684
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 80665316
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(5-ethylthiophen-2-yl)methanone
CID 59670004
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6469090

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 17249502) is (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PBWCEOUNVOWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-12-4-5-13(21-12)14(20)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 17249502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).