1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

C15H19N3OS2 — CID 3001084

IUPAC1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESCCCOc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C15H19N3OS2/c1-2-9-19-13-5-3-4-12(11-13)6-7-16-14(20)18-15-17-8-10-21-15/h3-5,8,10-11H,2,6-7,9H2,1H3,(H2,16,17,18,20)
InChIKeySFBMOPFFXDMZCI-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.46
Rot. Bonds7

About 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3001084) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3001084
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESCCCOc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C15H19N3OS2/c1-2-9-19-13-5-3-4-12(11-13)6-7-16-14(20)18-15-17-8-10-21-15/h3-5,8,10-11H,2,6-7,9H2,1H3,(H2,16,17,18,20)
InChIKeySFBMOPFFXDMZCI-UHFFFAOYSA-N
XLogP3.46
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3001084) is 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is CCCOc1cccc(CCNC(=S)Nc2nccs2)c1.
What is the InChIKey of 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is SFBMOPFFXDMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-2-9-19-13-5-3-4-12(11-13)6-7-16-14(20)18-15-17-8-10-21-15/h3-5,8,10-11H,2,6-7,9H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 321.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3001084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).