1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea

C14H14ClN3O2S — CID 23737762

IUPAC1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C14H14ClN3O2S/c1-19-10-4-5-11(12(7-10)20-2)18-14(21)17-9-3-6-13(15)16-8-9/h3-8H,1-2H3,(H2,17,18,21)
InChIKeyBYZVATZEYADSRW-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.56
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea

1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea (PubChem CID 23737762) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
PubChem CID23737762
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C14H14ClN3O2S/c1-19-10-4-5-11(12(7-10)20-2)18-14(21)17-9-3-6-13(15)16-8-9/h3-8H,1-2H3,(H2,17,18,21)
InChIKeyBYZVATZEYADSRW-UHFFFAOYSA-N
XLogP3.56
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680314
N-[(6-chloro-3-pyridinyl)carbamothioyl]-4-methoxybenzamide
CID 54788297
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 2212546
N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-pyridinyl]acetamide
CID 15954890
1-[2-(2-chlorophenoxy)ethyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100749820
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea
CID 19393221
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
CID 75402437
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea (CID 23737762) is 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea is COc1ccc(NC(=S)Nc2ccc(Cl)nc2)c(OC)c1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea?
The InChIKey is BYZVATZEYADSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-19-10-4-5-11(12(7-10)20-2)18-14(21)17-9-3-6-13(15)16-8-9/h3-8H,1-2H3,(H2,17,18,21).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea?
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea has a molecular weight of 323.81 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea is sourced from PubChem (CID 23737762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).