1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea

C8H11N3OS — CID 21497182

IUPAC1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea
SMILESOCCNC(=S)Nc1cccnc1
InChIInChI=1S/C8H11N3OS/c12-5-4-10-8(13)11-7-2-1-3-9-6-7/h1-3,6,12H,4-5H2,(H2,10,11,13)
InChIKeyIKWZBOPVYVKZCV-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.36
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea

1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea (PubChem CID 21497182) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea
PubChem CID21497182
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea
SMILESOCCNC(=S)Nc1cccnc1
InChIInChI=1S/C8H11N3OS/c12-5-4-10-8(13)11-7-2-1-3-9-6-7/h1-3,6,12H,4-5H2,(H2,10,11,13)
InChIKeyIKWZBOPVYVKZCV-UHFFFAOYSA-N
XLogP0.36
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-ynyl-3-pyridin-3-ylthiourea
CID 130744162
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
1-[2-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-ylthiourea
CID 100585048
1-[2-(naphthalen-1-ylamino)ethyl]-3-pyridin-3-ylthiourea
CID 4829929
1-[3-(2-chlorophenyl)propyl]-3-pyridin-3-ylthiourea
CID 100672338
1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-pyridin-3-ylthiourea
CID 100698285
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
1-[2-(hydroxymethyl)phenyl]-3-pyridin-3-ylthiourea
CID 718371
pyridin-3-ylthiourea
CID 2760515
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-(2-benzylbutyl)-3-pyridin-3-ylthiourea
CID 133154669
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea (CID 21497182) is 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea is OCCNC(=S)Nc1cccnc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea?
The InChIKey is IKWZBOPVYVKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-5-4-10-8(13)11-7-2-1-3-9-6-7/h1-3,6,12H,4-5H2,(H2,10,11,13).
What are the key properties of 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea?
1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea has a molecular weight of 197.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea is sourced from PubChem (CID 21497182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).