1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea

C16H17N3O2S — CID 23931240

IUPAC1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea
SMILESNC(=S)N(O)CC1CC1c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H17N3O2S/c17-16(22)19(20)10-12-9-14(12)11-4-3-5-13(8-11)21-15-6-1-2-7-18-15/h1-8,12,14,20H,9-10H2,(H2,17,22)
InChIKeyJJPAJNYMLISVIH-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds5

About 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea

1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea (PubChem CID 23931240) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea.

Molecular Properties

Compound Name1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea
PubChem CID23931240
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea
SMILESNC(=S)N(O)CC1CC1c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H17N3O2S/c17-16(22)19(20)10-12-9-14(12)11-4-3-5-13(8-11)21-15-6-1-2-7-18-15/h1-8,12,14,20H,9-10H2,(H2,17,22)
InChIKeyJJPAJNYMLISVIH-UHFFFAOYSA-N
XLogP2.91
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]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-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea?
The IUPAC name of 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea (CID 23931240) is 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea.
What is the SMILES notation for 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea?
The canonical SMILES for 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea is NC(=S)N(O)CC1CC1c1cccc(Oc2ccccn2)c1.
What is the InChIKey of 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea?
The InChIKey is JJPAJNYMLISVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c17-16(22)19(20)10-12-9-14(12)11-4-3-5-13(8-11)21-15-6-1-2-7-18-15/h1-8,12,14,20H,9-10H2,(H2,17,22).
What are the key properties of 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea?
1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea has a molecular weight of 315.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea is sourced from PubChem (CID 23931240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).