1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea

C13H13N3OS — CID 46891619

IUPAC1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
SMILESCSc1cccc(NC(=O)Nc2ccccn2)c1
InChIInChI=1S/C13H13N3OS/c1-18-11-6-4-5-10(9-11)15-13(17)16-12-7-2-3-8-14-12/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyBXDPRMPHPYZXCM-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea

1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea (PubChem CID 46891619) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
PubChem CID46891619
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
SMILESCSc1cccc(NC(=O)Nc2ccccn2)c1
InChIInChI=1S/C13H13N3OS/c1-18-11-6-4-5-10(9-11)15-13(17)16-12-7-2-3-8-14-12/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyBXDPRMPHPYZXCM-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(3-methylsulfanylphenyl)-3-(2-pyrazol-1-ylphenyl)urea
CID 112840099
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea (CID 46891619) is 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea is CSc1cccc(NC(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea?
The InChIKey is BXDPRMPHPYZXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-18-11-6-4-5-10(9-11)15-13(17)16-12-7-2-3-8-14-12/h2-9H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea?
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea has a molecular weight of 259.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 46891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).