N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide

C12H11N3OS2 — CID 63021833

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)C(NC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C12H11N3OS2/c13-11(17)10(8-4-2-1-3-5-8)15-12(16)9-6-18-7-14-9/h1-7,10H,(H2,13,17)(H,15,16)
InChIKeyDHRLMFVMCWWUPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds4

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63021833) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide
PubChem CID63021833
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)C(NC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C12H11N3OS2/c13-11(17)10(8-4-2-1-3-5-8)15-12(16)9-6-18-7-14-9/h1-7,10H,(H2,13,17)(H,15,16)
InChIKeyDHRLMFVMCWWUPP-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-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

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
N-(2-amino-1-phenyl-2-sulfanylideneethyl)pyrimidine-5-carboxamide
CID 102921830
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 124875352
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
CID 63050089
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 114916710

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide (CID 63021833) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide is NC(=S)C(NC(=O)c1cscn1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DHRLMFVMCWWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c13-11(17)10(8-4-2-1-3-5-8)15-12(16)9-6-18-7-14-9/h1-7,10H,(H2,13,17)(H,15,16).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63021833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).