1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea

C19H25N3OS — CID 100703128

IUPAC1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea
SMILESCCCOc1ccccc1CCCNC(=S)Nc1ncccc1C
InChIInChI=1S/C19H25N3OS/c1-3-14-23-17-11-5-4-9-16(17)10-7-13-21-19(24)22-18-15(2)8-6-12-20-18/h4-6,8-9,11-12H,3,7,10,13-14H2,1-2H3,(H2,20,21,22,24)
InChIKeyFCBDBGWULCGYMP-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.10
Rot. Bonds8

About 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea

1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea (PubChem CID 100703128) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea
PubChem CID100703128
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea
SMILESCCCOc1ccccc1CCCNC(=S)Nc1ncccc1C
InChIInChI=1S/C19H25N3OS/c1-3-14-23-17-11-5-4-9-16(17)10-7-13-21-19(24)22-18-15(2)8-6-12-20-18/h4-6,8-9,11-12H,3,7,10,13-14H2,1-2H3,(H2,20,21,22,24)
InChIKeyFCBDBGWULCGYMP-UHFFFAOYSA-N
XLogP4.10
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
1-(3-methoxy-2-pyridinyl)-3-(3-naphthalen-1-ylpropyl)thiourea
CID 100757431
methyl 3-[3-(2-propoxyphenyl)propylcarbamothioylamino]benzoate
CID 100702870
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
1-[3-(4-methylphenyl)sulfanylpropyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100688978
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 100665297
1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703669
1-(4-ethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614832
1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
CID 100614936
1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
CID 100621309

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea (CID 100703128) is 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea is CCCOc1ccccc1CCCNC(=S)Nc1ncccc1C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea?
The InChIKey is FCBDBGWULCGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-14-23-17-11-5-4-9-16(17)10-7-13-21-19(24)22-18-15(2)8-6-12-20-18/h4-6,8-9,11-12H,3,7,10,13-14H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea?
1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea has a molecular weight of 343.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea is sourced from PubChem (CID 100703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).