2-methoxypropylthiourea

C5H12N2OS — CID 102697400

IUPAC2-methoxypropylthiourea
SMILESCOC(C)CNC(N)=S
InChIInChI=1S/C5H12N2OS/c1-4(8-2)3-7-5(6)9/h4H,3H2,1-2H3,(H3,6,7,9)
InChIKeyISTJVTFBZXBWCU-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.15
Rot. Bonds3

About 2-methoxypropylthiourea

2-methoxypropylthiourea (PubChem CID 102697400) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-methoxypropylthiourea.

Molecular Properties

Compound Name2-methoxypropylthiourea
PubChem CID102697400
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-methoxypropylthiourea
SMILESCOC(C)CNC(N)=S
InChIInChI=1S/C5H12N2OS/c1-4(8-2)3-7-5(6)9/h4H,3H2,1-2H3,(H3,6,7,9)
InChIKeyISTJVTFBZXBWCU-UHFFFAOYSA-N
XLogP-0.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxypropylthiourea 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

2-carbamothioyl-N-(2-methoxypropyl)butanamide
CID 102698233
(3-methyl-2-propan-2-ylbutyl)thiourea
CID 102904815
2-(2-methoxypropylsulfamoyl)ethanethioamide
CID 102698254
N-(2-methoxypropyl)acetamide
CID 90876780
2,2-diaminoethylthiourea
CID 141082129
1-amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
N-(2-methoxypropyl)-2-oxopropanamide
CID 20671651
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
1-(2-methoxypropyl)-3-phenylthiourea
CID 102697388
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropylthiourea?
The IUPAC name of 2-methoxypropylthiourea (CID 102697400) is 2-methoxypropylthiourea.
What is the SMILES notation for 2-methoxypropylthiourea?
The canonical SMILES for 2-methoxypropylthiourea is COC(C)CNC(N)=S.
What is the InChIKey of 2-methoxypropylthiourea?
The InChIKey is ISTJVTFBZXBWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-4(8-2)3-7-5(6)9/h4H,3H2,1-2H3,(H3,6,7,9).
What are the key properties of 2-methoxypropylthiourea?
2-methoxypropylthiourea has a molecular weight of 148.23 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropylthiourea is sourced from PubChem (CID 102697400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).