2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H7F3N4O3S — CID 141373177

IUPAC2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H7F3N4O3S/c1-5-16-9(11(12,13)14)8(22-5)10(19)17-7-3-2-6(4-15-7)18(20)21/h2-4H,1H3,(H,15,17,19)
InChIKeyUNXUIPDBJZBEPD-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.03
Rot. Bonds3

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

2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373177) has the molecular formula C11H7F3N4O3S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373177
Molecular FormulaC11H7F3N4O3S
Molecular Weight332.26 g/mol
Exact Mass332.02
IUPAC Name2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H7F3N4O3S/c1-5-16-9(11(12,13)14)8(22-5)10(19)17-7-3-2-6(4-15-7)18(20)21/h2-4H,1H3,(H,15,17,19)
InChIKeyUNXUIPDBJZBEPD-UHFFFAOYSA-N
XLogP3.03
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373177) is 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)s1.
What is the InChIKey of 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UNXUIPDBJZBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O3S/c1-5-16-9(11(12,13)14)8(22-5)10(19)17-7-3-2-6(4-15-7)18(20)21/h2-4H,1H3,(H,15,17,19).
What are the key properties of 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).