1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea

C15H17N3OS — CID 17182597

IUPAC1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCSc1cccc(NC(=O)NC(C)c2ccccn2)c1
InChIInChI=1S/C15H17N3OS/c1-11(14-8-3-4-9-16-14)17-15(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyHQBNVPZSQAEBNE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.69
Rot. Bonds4

About 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea

1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 17182597) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID17182597
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCSc1cccc(NC(=O)NC(C)c2ccccn2)c1
InChIInChI=1S/C15H17N3OS/c1-11(14-8-3-4-9-16-14)17-15(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyHQBNVPZSQAEBNE-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
1-butan-2-yl-3-(3-methylsulfanylphenyl)urea
CID 17087558
(2S)-3-methyl-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 61181842
1-(3-methylsulfanylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928205
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17181717
(2S,3R)-3-hydroxy-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 104965710
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea (CID 17182597) is 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea is CSc1cccc(NC(=O)NC(C)c2ccccn2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is HQBNVPZSQAEBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(14-8-3-4-9-16-14)17-15(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea?
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 287.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 17182597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).