1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea

C14H16ClN3OS — CID 47239700

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C14H16ClN3OS/c1-10(12-4-2-3-8-16-12)18-14(19)17-9-7-11-5-6-13(15)20-11/h2-6,8,10H,7,9H2,1H3,(H2,17,18,19)
InChIKeySXJXQUVWYTWGTL-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea (PubChem CID 47239700) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea
PubChem CID47239700
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C14H16ClN3OS/c1-10(12-4-2-3-8-16-12)18-14(19)17-9-7-11-5-6-13(15)20-11/h2-6,8,10H,7,9H2,1H3,(H2,17,18,19)
InChIKeySXJXQUVWYTWGTL-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea (CID 47239700) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea is CC(NC(=O)NCCc1ccc(Cl)s1)c1ccccn1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is SXJXQUVWYTWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-10(12-4-2-3-8-16-12)18-14(19)17-9-7-11-5-6-13(15)20-11/h2-6,8,10H,7,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 309.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).