[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea

C15H12N4S2 — CID 169358392

IUPAC[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1cccc(-c2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H12N4S2/c16-15(20)18-12-3-1-2-11(8-12)14-19-13(9-21-14)10-4-6-17-7-5-10/h1-9H,(H3,16,18,20)
InChIKeyOKTXKFHGYKOGHW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.53
Rot. Bonds3

About [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea

[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea (PubChem CID 169358392) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
PubChem CID169358392
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1cccc(-c2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H12N4S2/c16-15(20)18-12-3-1-2-11(8-12)14-19-13(9-21-14)10-4-6-17-7-5-10/h1-9H,(H3,16,18,20)
InChIKeyOKTXKFHGYKOGHW-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)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

2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]thiourea
CID 87683269
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
(1Z)-2-amino-2-imino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino]ethanimidoyl cyanide
CID 172978503
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
2-[[3-(4-phenyl-1,3-thiazol-2-yl)anilino]methylidene]propanedinitrile
CID 168544214

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea?
The IUPAC name of [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea (CID 169358392) is [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea?
The canonical SMILES for [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea is NC(=S)Nc1cccc(-c2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea?
The InChIKey is OKTXKFHGYKOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c16-15(20)18-12-3-1-2-11(8-12)14-19-13(9-21-14)10-4-6-17-7-5-10/h1-9H,(H3,16,18,20).
What are the key properties of [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea?
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea has a molecular weight of 312.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 169358392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).