N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide

C17H14N4O2S2 — CID 25173086

IUPACN-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1csnn1
InChIInChI=1S/C17H14N4O2S2/c22-16(15-11-25-21-20-15)19-17(24)18-13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19,22,24)
InChIKeySKLPOHZJMVDXGL-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide

N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide (PubChem CID 25173086) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
PubChem CID25173086
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1csnn1
InChIInChI=1S/C17H14N4O2S2/c22-16(15-11-25-21-20-15)19-17(24)18-13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19,22,24)
InChIKeySKLPOHZJMVDXGL-UHFFFAOYSA-N
XLogP3.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide 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

4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 87958494
2,2-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17086198
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,3-thiazole-4-carboxamide
CID 59700700
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086217
5-iodo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041804
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
N-(naphthalen-2-ylcarbamothioyl)-3-phenylmethoxybenzamide
CID 22775965
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
2-N,2-N-dimethyl-3-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-2,3-dicarboxamide
CID 87447399

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide (CID 25173086) is N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide is O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1csnn1.
What is the InChIKey of N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide?
The InChIKey is SKLPOHZJMVDXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c22-16(15-11-25-21-20-15)19-17(24)18-13-7-4-8-14(9-13)23-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19,22,24).
What are the key properties of N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide?
N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 25173086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).