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

C13H12F3N5O3S — CID 141373192

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O3S/c1-2-3-8-20-10(13(14,15)16)9(25-8)12(22)19-7-5-4-6(21(23)24)11(17)18-7/h4-5H,2-3H2,1H3,(H3,17,18,19,22)
InChIKeyJILGPDKKESLNFE-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.25
Rot. Bonds5

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

N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373192) has the molecular formula C13H12F3N5O3S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373192
Molecular FormulaC13H12F3N5O3S
Molecular Weight375.33 g/mol
Exact Mass375.06
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O3S/c1-2-3-8-20-10(13(14,15)16)9(25-8)12(22)19-7-5-4-6(21(23)24)11(17)18-7/h4-5H,2-3H2,1H3,(H3,17,18,19,22)
InChIKeyJILGPDKKESLNFE-UHFFFAOYSA-N
XLogP3.25
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373192) is N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCc1nc(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-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JILGPDKKESLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3S/c1-2-3-8-20-10(13(14,15)16)9(25-8)12(22)19-7-5-4-6(21(23)24)11(17)18-7/h4-5H,2-3H2,1H3,(H3,17,18,19,22).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).