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

C19H18N4OS — CID 68701618

IUPAC(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-18(17-13-16(14-25-17)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,13-14H,9-12H2
InChIKeyTTYYDHAMVXPJGK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.17
Rot. Bonds3

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

(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 68701618) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID68701618
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-18(17-13-16(14-25-17)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,13-14H,9-12H2
InChIKeyTTYYDHAMVXPJGK-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-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 45341237
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68801751
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
(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

Frequently Asked Questions

What is the IUPAC name of (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 68701618) is (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is TTYYDHAMVXPJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(17-13-16(14-25-17)15-5-2-1-3-6-15)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,13-14H,9-12H2.
What are the key properties of (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-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 (4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68701618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).