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

C13H12F3N5O4S — CID 141373237

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Oc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O4S/c1-5(2)25-12-20-9(13(14,15)16)8(26-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22)
InChIKeyZIDXEGYWUXEZHZ-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.09
Rot. Bonds5

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

N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373237) has the molecular formula C13H12F3N5O4S and a molecular weight of 391.33 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373237
Molecular FormulaC13H12F3N5O4S
Molecular Weight391.33 g/mol
Exact Mass391.06
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Oc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O4S/c1-5(2)25-12-20-9(13(14,15)16)8(26-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22)
InChIKeyZIDXEGYWUXEZHZ-UHFFFAOYSA-N
XLogP3.09
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.09
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-propan-2-yloxy-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-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373237) is N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)Oc1nc(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-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZIDXEGYWUXEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O4S/c1-5(2)25-12-20-9(13(14,15)16)8(26-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 391.33 g/mol, XLogP of 3.09, 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-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).