1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea

C18H24N4OS — CID 3240500

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-21-9-11-22(12-10-21)14-15-5-7-16(8-6-15)19-18(23)20-17-4-3-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23)
InChIKeyCZDJAOWKZQKIOG-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.53
Rot. Bonds5

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea

1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea (PubChem CID 3240500) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea
PubChem CID3240500
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-21-9-11-22(12-10-21)14-15-5-7-16(8-6-15)19-18(23)20-17-4-3-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23)
InChIKeyCZDJAOWKZQKIOG-UHFFFAOYSA-N
XLogP3.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea (CID 3240500) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea is CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea?
The InChIKey is CZDJAOWKZQKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-21-9-11-22(12-10-21)14-15-5-7-16(8-6-15)19-18(23)20-17-4-3-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea?
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea has a molecular weight of 344.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 3240500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).