N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide

C10H11N5OS — CID 141311933

IUPACN-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESNNN(N)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H11N5OS/c11-14-15(12)10(16)8-6-17-9(13-8)7-4-2-1-3-5-7/h1-6,14H,11-12H2
InChIKeyXUMXAUQNKBQKGJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.50
Rot. Bonds3

About N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide

N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 141311933) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID141311933
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESNNN(N)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H11N5OS/c11-14-15(12)10(16)8-6-17-9(13-8)7-4-2-1-3-5-7/h1-6,14H,11-12H2
InChIKeyXUMXAUQNKBQKGJ-UHFFFAOYSA-N
XLogP0.50
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855

Frequently Asked Questions

What is the IUPAC name of N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 141311933) is N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide is NNN(N)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XUMXAUQNKBQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-14-15(12)10(16)8-6-17-9(13-8)7-4-2-1-3-5-7/h1-6,14H,11-12H2.
What are the key properties of N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141311933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).