1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea

C15H17N3O2S — CID 19685989

IUPAC1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ncccc2C)cc(OC)c1
InChIInChI=1S/C15H17N3O2S/c1-10-5-4-6-16-14(10)18-15(21)17-11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3,(H2,16,17,18,21)
InChIKeyZHQXZGCYMFGALA-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.22
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea

1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea (PubChem CID 19685989) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea
PubChem CID19685989
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ncccc2C)cc(OC)c1
InChIInChI=1S/C15H17N3O2S/c1-10-5-4-6-16-14(10)18-15(21)17-11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3,(H2,16,17,18,21)
InChIKeyZHQXZGCYMFGALA-UHFFFAOYSA-N
XLogP3.22
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 127097884
1-(3,4-dichlorophenyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 970215
1-(3-bromophenyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 9234178
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
CID 5078814
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
3-bromo-4-methoxy-N-[(3-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 1139159
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100707457
1-(3,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 17284844

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea (CID 19685989) is 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea is COc1cc(NC(=S)Nc2ncccc2C)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea?
The InChIKey is ZHQXZGCYMFGALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-5-4-6-16-14(10)18-15(21)17-11-7-12(19-2)9-13(8-11)20-3/h4-9H,1-3H3,(H2,16,17,18,21).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea?
1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea has a molecular weight of 303.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 19685989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).