1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea

C14H15N3OS — CID 3001925

IUPAC1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C14H15N3OS/c1-10-6-5-9-13(15-10)17-14(19)16-11-7-3-4-8-12(11)18-2/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyFWWXHDXTNPJKNG-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea

1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea (PubChem CID 3001925) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
PubChem CID3001925
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C14H15N3OS/c1-10-6-5-9-13(15-10)17-14(19)16-11-7-3-4-8-12(11)18-2/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyFWWXHDXTNPJKNG-UHFFFAOYSA-N
XLogP3.21
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
1-(3-chloro-2-methylphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 19686142
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100751951
1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
CID 75402437
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(2-cyano-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)thiourea
CID 1481151
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
1-[(2-ethoxyphenyl)methyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100634916
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
1-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2-methoxyphenyl)thiourea
CID 19405412

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea (CID 3001925) is 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea is COc1ccccc1NC(=S)Nc1cccc(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea?
The InChIKey is FWWXHDXTNPJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-6-5-9-13(15-10)17-14(19)16-11-7-3-4-8-12(11)18-2/h3-9H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea?
1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea has a molecular weight of 273.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 3001925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).