1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea

C14H16N4OS — CID 75514707

IUPAC1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1cc(NC(=O)NCCc2ccccn2)ccn1
InChIInChI=1S/C14H16N4OS/c1-20-13-10-12(6-8-16-13)18-14(19)17-9-5-11-4-2-3-7-15-11/h2-4,6-8,10H,5,9H2,1H3,(H2,16,17,18,19)
InChIKeyAFLQFLRUJAHNJI-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea

1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 75514707) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID75514707
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1cc(NC(=O)NCCc2ccccn2)ccn1
InChIInChI=1S/C14H16N4OS/c1-20-13-10-12(6-8-16-13)18-14(19)17-9-5-11-4-2-3-7-15-11/h2-4,6-8,10H,5,9H2,1H3,(H2,16,17,18,19)
InChIKeyAFLQFLRUJAHNJI-UHFFFAOYSA-N
XLogP2.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea (CID 75514707) is 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea is CSc1cc(NC(=O)NCCc2ccccn2)ccn1.
What is the InChIKey of 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is AFLQFLRUJAHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-20-13-10-12(6-8-16-13)18-14(19)17-9-5-11-4-2-3-7-15-11/h2-4,6-8,10H,5,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea?
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 288.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 75514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).