N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine

C15H17FN4O2S — CID 133481326

IUPACN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-9-23-15(17-10)18-12-4-6-19(7-5-12)13-3-2-11(16)8-14(13)20(21)22/h2-3,8-9,12H,4-7H2,1H3,(H,17,18)
InChIKeyFKDHEXRAVRRNAA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine

N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 133481326) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID133481326
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-9-23-15(17-10)18-12-4-6-19(7-5-12)13-3-2-11(16)8-14(13)20(21)22/h2-3,8-9,12H,4-7H2,1H3,(H,17,18)
InChIKeyFKDHEXRAVRRNAA-UHFFFAOYSA-N
XLogP3.58
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.58
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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Related Compounds

N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
N-[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481384
tert-butyl N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]carbamate
CID 53255560
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 75398503
1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
CID 115305543
[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]methanesulfonamide
CID 56805189
3-[[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315363
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481351
2-[(2S)-1-(2,4-dinitrophenyl)piperidin-2-yl]-4-methyl-1,3-thiazole
CID 97211593

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 133481326) is N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1.
What is the InChIKey of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is FKDHEXRAVRRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10-9-23-15(17-10)18-12-4-6-19(7-5-12)13-3-2-11(16)8-14(13)20(21)22/h2-3,8-9,12H,4-7H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 336.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133481326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).