N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide

C11H12N4OS — CID 63120256

IUPACN-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNC(CNC(=O)c1cnsn1)c1ccccc1
InChIInChI=1S/C11H12N4OS/c12-9(8-4-2-1-3-5-8)6-13-11(16)10-7-14-17-15-10/h1-5,7,9H,6,12H2,(H,13,16)
InChIKeyRWMBFJOKTDNBML-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.97
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide

N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 63120256) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID63120256
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNC(CNC(=O)c1cnsn1)c1ccccc1
InChIInChI=1S/C11H12N4OS/c12-9(8-4-2-1-3-5-8)6-13-11(16)10-7-14-17-15-10/h1-5,7,9H,6,12H2,(H,13,16)
InChIKeyRWMBFJOKTDNBML-UHFFFAOYSA-N
XLogP0.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-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

(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 106107261
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
methyl (3R)-3-phenyl-3-(1,2,5-thiadiazole-3-carbonylamino)propanoate
CID 94149809
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide (CID 63120256) is N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide is NC(CNC(=O)c1cnsn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RWMBFJOKTDNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-9(8-4-2-1-3-5-8)6-13-11(16)10-7-14-17-15-10/h1-5,7,9H,6,12H2,(H,13,16).
What are the key properties of N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 63120256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).