[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H17ClN4OS — CID 118708988

IUPAC[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)s2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17ClN4OS/c20-17-7-6-16(26-17)14-2-4-15(5-3-14)18(25)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-13H2
InChIKeyLDDYEQQCLSXXRT-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.82
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 118708988) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID118708988
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)s2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17ClN4OS/c20-17-7-6-16(26-17)14-2-4-15(5-3-14)18(25)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-13H2
InChIKeyLDDYEQQCLSXXRT-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 118708988) is [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccc(Cl)s2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LDDYEQQCLSXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-17-7-6-16(26-17)14-2-4-15(5-3-14)18(25)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-13H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 384.89 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118708988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).