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

C12H11F3N6O3S — CID 141373184

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H11F3N6O3S/c1-2-17-11-20-8(12(13,14)15)7(25-11)10(22)19-6-4-3-5(21(23)24)9(16)18-6/h3-4H,2H2,1H3,(H,17,20)(H3,16,18,19,22)
InChIKeyOSLGGQWHIXWIQY-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.73
Rot. Bonds5

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

N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373184) has the molecular formula C12H11F3N6O3S and a molecular weight of 376.32 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373184
Molecular FormulaC12H11F3N6O3S
Molecular Weight376.32 g/mol
Exact Mass376.06
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H11F3N6O3S/c1-2-17-11-20-8(12(13,14)15)7(25-11)10(22)19-6-4-3-5(21(23)24)9(16)18-6/h3-4H,2H2,1H3,(H,17,20)(H3,16,18,19,22)
InChIKeyOSLGGQWHIXWIQY-UHFFFAOYSA-N
XLogP2.73
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373184) is N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCNc1nc(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-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OSLGGQWHIXWIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O3S/c1-2-17-11-20-8(12(13,14)15)7(25-11)10(22)19-6-4-3-5(21(23)24)9(16)18-6/h3-4H,2H2,1H3,(H,17,20)(H3,16,18,19,22).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 376.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).