[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea

C10H10N2OS — CID 169485261

IUPAC[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C10H10N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h3-6,13H,7H2,(H3,11,12,14)
InChIKeyCOKQGWXXPGKHLA-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.69
Rot. Bonds1

About [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea

[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea (PubChem CID 169485261) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
PubChem CID169485261
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C10H10N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h3-6,13H,7H2,(H3,11,12,14)
InChIKeyCOKQGWXXPGKHLA-UHFFFAOYSA-N
XLogP0.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(3-hydroxyprop-1-ynyl)phenyl]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

methyl 4-[4-(carbamothioylamino)phenyl]but-3-ynoate
CID 170469817
3-[4-(methylamino)phenyl]prop-2-yn-1-ol
CID 22986794
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-(3-hydroxyprop-1-ynyl)phenyl]thiadiazole-4-carboxamide
CID 65216612
N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60802763
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
[4-(2,2-difluoroethoxy)phenyl]thiourea
CID 169358688

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea?
The IUPAC name of [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea (CID 169485261) is [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea.
What is the SMILES notation for [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea?
The canonical SMILES for [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea is NC(=S)Nc1ccc(C#CCO)cc1.
What is the InChIKey of [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea?
The InChIKey is COKQGWXXPGKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10(14)12-9-5-3-8(4-6-9)2-1-7-13/h3-6,13H,7H2,(H3,11,12,14).
What are the key properties of [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea?
[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea has a molecular weight of 206.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyprop-1-ynyl)phenyl]thiourea is sourced from PubChem (CID 169485261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).