1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea

C14H15N3OS — CID 17264293

IUPAC1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cccnc1
InChIInChI=1S/C14H15N3OS/c1-10-5-6-13(18-2)12(8-10)17-14(19)16-11-4-3-7-15-9-11/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyZAURPYKMKMHOFB-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea

1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea (PubChem CID 17264293) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
PubChem CID17264293
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cccnc1
InChIInChI=1S/C14H15N3OS/c1-10-5-6-13(18-2)12(8-10)17-14(19)16-11-4-3-7-15-9-11/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyZAURPYKMKMHOFB-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

1-(2-methoxy-5-nitrophenyl)-3-pyridin-3-ylthiourea
CID 23733552
1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 17299667
N-(2-methoxy-5-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 15945768
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 20846970
1-(2-methoxy-5-methylphenyl)-3-(1,2-oxazol-3-yl)thiourea
CID 19686879
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(2,5-dimethoxyphenyl)-3-pyridin-4-ylthiourea
CID 19655598
1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680097
1-[2-(diethylsulfamoyl)-4-methylphenyl]-3-pyridin-3-ylthiourea
CID 2397328
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea (CID 17264293) is 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea is COc1ccc(C)cc1NC(=S)Nc1cccnc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea?
The InChIKey is ZAURPYKMKMHOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-5-6-13(18-2)12(8-10)17-14(19)16-11-4-3-7-15-9-11/h3-9H,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea?
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea 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-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea is sourced from PubChem (CID 17264293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).