1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea

C15H22N2OS — CID 115570802

IUPAC1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
SMILESCOCCCNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C15H22N2OS/c1-18-10-4-9-16-15(19)17-14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,16,17,19)
InChIKeySFWQGQRXHMWGOG-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea

1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea (PubChem CID 115570802) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
PubChem CID115570802
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
SMILESCOCCCNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C15H22N2OS/c1-18-10-4-9-16-15(19)17-14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,16,17,19)
InChIKeySFWQGQRXHMWGOG-UHFFFAOYSA-N
XLogP2.04
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-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

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxypropyl)thiourea
CID 2171093
1-(3-Ethoxypropyl)-3-(2-phenylethyl)thiourea
CID 2171134
Urea, 2-thio-1-(tetrahydro-2-naphthyl)-
CID 3035112
N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846517
4-(2-aminoethyl)-3-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione
CID 11565814
1-(3-Methoxypropyl)-5-phenethyl-1,3,5-triazinane-2-thione
CID 1864023
(r)-(+)-N-(1,2,3,4-tetrahydronaphth-1-yl)-N'-isopropylthiourea
CID 7991812
(r)-(+)-N-(1,2,3,4-tetrahydronaphth-1-yl)-N'-propylthiourea
CID 8669343
1-[2-(3-Fluorophenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 113219018
1-(3-Ethoxypropyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 115570142
1-(3-Ethoxypropyl)-3-[2-(2-fluorophenyl)ethyl]thiourea
CID 115571209
1-[2-(2-Fluorophenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 115571212

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea (CID 115570802) is 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea is COCCCNC(=S)NC1CCc2ccccc2C1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The InChIKey is SFWQGQRXHMWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-10-4-9-16-15(19)17-14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea has a molecular weight of 278.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea is sourced from PubChem (CID 115570802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).