1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea

C19H25N3OS — CID 133215686

IUPAC1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea
SMILESCOc1ccc(C(CC(C)C)NC(=S)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C19H25N3OS/c1-13(2)11-17(15-5-7-16(23-4)8-6-15)21-19(24)22-18-12-14(3)9-10-20-18/h5-10,12-13,17H,11H2,1-4H3,(H2,20,21,22,24)
InChIKeyZNYYKNIRJLLTGM-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.47
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea

1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea (PubChem CID 133215686) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea
PubChem CID133215686
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea
SMILESCOc1ccc(C(CC(C)C)NC(=S)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C19H25N3OS/c1-13(2)11-17(15-5-7-16(23-4)8-6-15)21-19(24)22-18-12-14(3)9-10-20-18/h5-10,12-13,17H,11H2,1-4H3,(H2,20,21,22,24)
InChIKeyZNYYKNIRJLLTGM-UHFFFAOYSA-N
XLogP4.47
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-methylphenyl)thiourea
CID 133215619
1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655920
1-(3-ethoxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215662
1-(4-bromo-3-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100656269
1-(4-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655735
1-(4-ethylphenyl)-3-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100656058
1-butan-2-yl-3-(4-methyl-2-pyridinyl)thiourea
CID 127064169
1-(4-methyl-2-pyridinyl)-3-[(2R)-1-phenoxypropan-2-yl]thiourea
CID 100750928
1-(4-methyl-2-pyridinyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 100716083
1-(4-cyclopentyloxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215676
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea (CID 133215686) is 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea is COc1ccc(C(CC(C)C)NC(=S)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea?
The InChIKey is ZNYYKNIRJLLTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13(2)11-17(15-5-7-16(23-4)8-6-15)21-19(24)22-18-12-14(3)9-10-20-18/h5-10,12-13,17H,11H2,1-4H3,(H2,20,21,22,24).
What are the key properties of 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea?
1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea has a molecular weight of 343.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(4-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 133215686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).