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

C12H10F3N5O4S — CID 141373183

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H10F3N5O4S/c1-2-24-11-19-8(12(13,14)15)7(25-11)10(21)18-6-4-3-5(20(22)23)9(16)17-6/h3-4H,2H2,1H3,(H3,16,17,18,21)
InChIKeyUURJWOIQCFSAQV-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.70
Rot. Bonds5

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

N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373183) has the molecular formula C12H10F3N5O4S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373183
Molecular FormulaC12H10F3N5O4S
Molecular Weight377.30 g/mol
Exact Mass377.04
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C12H10F3N5O4S/c1-2-24-11-19-8(12(13,14)15)7(25-11)10(21)18-6-4-3-5(20(22)23)9(16)17-6/h3-4H,2H2,1H3,(H3,16,17,18,21)
InChIKeyUURJWOIQCFSAQV-UHFFFAOYSA-N
XLogP2.70
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
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'}

Analyze N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373183) is N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCOc1nc(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-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UURJWOIQCFSAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O4S/c1-2-24-11-19-8(12(13,14)15)7(25-11)10(21)18-6-4-3-5(20(22)23)9(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-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 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-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).