1-(6-methoxy-3-pyridinyl)-3-propylthiourea

C10H15N3OS — CID 42992989

IUPAC1-(6-methoxy-3-pyridinyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(OC)nc1
InChIInChI=1S/C10H15N3OS/c1-3-6-11-10(15)13-8-4-5-9(14-2)12-7-8/h4-5,7H,3,6H2,1-2H3,(H2,11,13,15)
InChIKeyHPLNPCIUHAOISZ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.79
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-3-propylthiourea

1-(6-methoxy-3-pyridinyl)-3-propylthiourea (PubChem CID 42992989) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-propylthiourea
PubChem CID42992989
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(OC)nc1
InChIInChI=1S/C10H15N3OS/c1-3-6-11-10(15)13-8-4-5-9(14-2)12-7-8/h4-5,7H,3,6H2,1-2H3,(H2,11,13,15)
InChIKeyHPLNPCIUHAOISZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 94841351
1-(3-cyclopentyloxypropyl)-3-(6-methoxy-3-pyridinyl)thiourea
CID 100701010
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
1-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100697250
1-(3-ethoxypropyl)-3-(6-ethoxy-3-pyridinyl)thiourea
CID 115687471
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100696168
1-(6-methoxy-3-pyridinyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7943406
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
1-(6-methoxy-3-pyridinyl)-3-(3-methyl-1-phenylbutyl)thiourea
CID 133215604
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100580772

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-propylthiourea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-propylthiourea (CID 42992989) is 1-(6-methoxy-3-pyridinyl)-3-propylthiourea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-propylthiourea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-propylthiourea is CCCNC(=S)Nc1ccc(OC)nc1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-propylthiourea?
The InChIKey is HPLNPCIUHAOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-6-11-10(15)13-8-4-5-9(14-2)12-7-8/h4-5,7H,3,6H2,1-2H3,(H2,11,13,15).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-propylthiourea?
1-(6-methoxy-3-pyridinyl)-3-propylthiourea has a molecular weight of 225.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-propylthiourea is sourced from PubChem (CID 42992989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).