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

C11H8F3N5O4S — CID 141373189

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C11H8F3N5O4S/c1-23-10-18-7(11(12,13)14)6(24-10)9(20)17-5-3-2-4(19(21)22)8(15)16-5/h2-3H,1H3,(H3,15,16,17,20)
InChIKeyBMABMGRRNBJSMI-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.31
Rot. Bonds4

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

N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373189) has the molecular formula C11H8F3N5O4S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373189
Molecular FormulaC11H8F3N5O4S
Molecular Weight363.28 g/mol
Exact Mass363.02
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C11H8F3N5O4S/c1-23-10-18-7(11(12,13)14)6(24-10)9(20)17-5-3-2-4(19(21)22)8(15)16-5/h2-3H,1H3,(H3,15,16,17,20)
InChIKeyBMABMGRRNBJSMI-UHFFFAOYSA-N
XLogP2.31
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.31
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373189) is N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is COc1nc(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-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BMABMGRRNBJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O4S/c1-23-10-18-7(11(12,13)14)6(24-10)9(20)17-5-3-2-4(19(21)22)8(15)16-5/h2-3H,1H3,(H3,15,16,17,20).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 363.28 g/mol, XLogP of 2.31, 4 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-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).