2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

C15H15F3N4O2S — CID 133402902

IUPAC2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15F3N4O2S/c1-9-5-13(19-6-11(9)22(23)24)21-4-2-3-10(7-21)14-20-12(8-25-14)15(16,17)18/h5-6,8,10H,2-4,7H2,1H3
InChIKeyRHTIYRYXDMAOMP-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.16
Rot. Bonds3

About 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133402902) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133402902
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15F3N4O2S/c1-9-5-13(19-6-11(9)22(23)24)21-4-2-3-10(7-21)14-20-12(8-25-14)15(16,17)18/h5-6,8,10H,2-4,7H2,1H3
InChIKeyRHTIYRYXDMAOMP-UHFFFAOYSA-N
XLogP4.16
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
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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Related Compounds

2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387919
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
4,5-dimethyl-2-[6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137265094
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
5-nitro-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]benzenesulfonamide
CID 133387907
2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-1-propan-2-ylbenzimidazole
CID 133339938
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133402896
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
3-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 124890258

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133402902) is 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RHTIYRYXDMAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-9-5-13(19-6-11(9)22(23)24)21-4-2-3-10(7-21)14-20-12(8-25-14)15(16,17)18/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 372.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133402902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).