1-(2-hydroxyethyl)-3-propylthiourea

C6H14N2OS — CID 2824653

IUPAC1-(2-hydroxyethyl)-3-propylthiourea
SMILESCCCNC(=S)NCCO
InChIInChI=1S/C6H14N2OS/c1-2-3-7-6(10)8-4-5-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyCQFNFJMFOXFUPM-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.15
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-propylthiourea

1-(2-hydroxyethyl)-3-propylthiourea (PubChem CID 2824653) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-propylthiourea
PubChem CID2824653
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1-(2-hydroxyethyl)-3-propylthiourea
SMILESCCCNC(=S)NCCO
InChIInChI=1S/C6H14N2OS/c1-2-3-7-6(10)8-4-5-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyCQFNFJMFOXFUPM-UHFFFAOYSA-N
XLogP-0.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-propylthiourea 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

1-decyl-3-(2-hydroxyethyl)thiourea
CID 3473158
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
1-[(2S)-2-hydroxypropyl]-3-propylthiourea
CID 131211878
N-methyl-3-(propylcarbamothioylamino)propanamide
CID 116508065
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
1-pentan-3-yl-3-propylthiourea
CID 19652880
1-[(2-methylcyclopropyl)methyl]-3-propylthiourea
CID 115583247
1-cyclooctyl-3-propylthiourea
CID 19650537
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
1-(2-methyl-2-methylsulfonylpropyl)-3-propylthiourea
CID 115675105
1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-propylthiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-propylthiourea (CID 2824653) is 1-(2-hydroxyethyl)-3-propylthiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-propylthiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-propylthiourea is CCCNC(=S)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-propylthiourea?
The InChIKey is CQFNFJMFOXFUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-3-7-6(10)8-4-5-9/h9H,2-5H2,1H3,(H2,7,8,10).
What are the key properties of 1-(2-hydroxyethyl)-3-propylthiourea?
1-(2-hydroxyethyl)-3-propylthiourea has a molecular weight of 162.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-propylthiourea is sourced from PubChem (CID 2824653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).