1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea

C15H17N3OS — CID 19703834

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
SMILESCOc1cccc(CCNC(=S)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3OS/c1-19-13-6-4-5-12(11-13)8-10-17-15(20)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,20)
InChIKeyOCACKDUHICQKRL-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea

1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea (PubChem CID 19703834) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
PubChem CID19703834
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
SMILESCOc1cccc(CCNC(=S)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3OS/c1-19-13-6-4-5-12(11-13)8-10-17-15(20)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,20)
InChIKeyOCACKDUHICQKRL-UHFFFAOYSA-N
XLogP2.62
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.62
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-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-(3-bromo-2-pyridinyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 19703444
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-(3-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]thiourea
CID 3596467
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971307
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
1-(3-methoxyphenyl)-3-(pyridin-2-ylmethyl)thiourea
CID 2250497
1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea
CID 100676423
1-(1-adamantyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 3250585

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea (CID 19703834) is 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea is COc1cccc(CCNC(=S)Nc2ccccn2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea?
The InChIKey is OCACKDUHICQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-19-13-6-4-5-12(11-13)8-10-17-15(20)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea?
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea has a molecular weight of 287.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea is sourced from PubChem (CID 19703834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).