N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H10F3N5O3S — CID 141373176

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H10F3N5O3S/c1-2-7-19-9(12(13,14)15)8(24-7)11(21)18-6-4-3-5(20(22)23)10(16)17-6/h3-4H,2H2,1H3,(H3,16,17,18,21)
InChIKeyLZVCUJAOYWHODM-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.86
Rot. Bonds4

About N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373176) has the molecular formula C12H10F3N5O3S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373176
Molecular FormulaC12H10F3N5O3S
Molecular Weight361.31 g/mol
Exact Mass361.05
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H10F3N5O3S/c1-2-7-19-9(12(13,14)15)8(24-7)11(21)18-6-4-3-5(20(22)23)10(16)17-6/h3-4H,2H2,1H3,(H3,16,17,18,21)
InChIKeyLZVCUJAOYWHODM-UHFFFAOYSA-N
XLogP2.86
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47015090
4-methyl-N-(6-methyl-2-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47190425
2-methyl-N-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 4404036
2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 56823130
N-(6-amino-5-nitropyridin-2-yl)-2-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 86281251
3-Amino-6-methyl-pyridine-2-carboxylic acid (4-trifluoromethyl-thiazol-2-yl)-amide
CID 86607572
5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 90854911
N-(6-amino-5-nitropyridin-2-yl)-2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373170
N-(6-amino-5-nitropyridin-2-yl)-2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373173
N-[6-(dimethylamino)-5-nitropyridin-2-yl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373174
2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitropyridin-2-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373175
2-methyl-N-(5-nitropyridin-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373177

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373176) is N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1.
What is the InChIKey of N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LZVCUJAOYWHODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O3S/c1-2-7-19-9(12(13,14)15)8(24-7)11(21)18-6-4-3-5(20(22)23)10(16)17-6/h3-4H,2H2,1H3,(H3,16,17,18,21).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).