1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea

C15H18N4OS — CID 75402437

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C15H18N4OS/c1-19(2)14-9-8-11(10-16-14)17-15(21)18-12-6-4-5-7-13(12)20-3/h4-10H,1-3H3,(H2,17,18,21)
InChIKeyYPONQCIWUWQAGN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.97
Rot. Bonds4

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea

1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea (PubChem CID 75402437) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
PubChem CID75402437
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C15H18N4OS/c1-19(2)14-9-8-11(10-16-14)17-15(21)18-12-6-4-5-7-13(12)20-3/h4-10H,1-3H3,(H2,17,18,21)
InChIKeyYPONQCIWUWQAGN-UHFFFAOYSA-N
XLogP2.97
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.97
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-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 3001925
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
CID 23737762
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea (CID 75402437) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea?
The InChIKey is YPONQCIWUWQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19(2)14-9-8-11(10-16-14)17-15(21)18-12-6-4-5-7-13(12)20-3/h4-10H,1-3H3,(H2,17,18,21).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea has a molecular weight of 302.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 75402437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).