2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine

C16H15F4N3S — CID 133338786

IUPAC2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(N3CCSCC3)cc2)c1F
InChIInChI=1S/C16H15F4N3S/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22)
InChIKeyKPVZJPIJXARMTJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.80
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine (PubChem CID 133338786) has the molecular formula C16H15F4N3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine
PubChem CID133338786
Molecular FormulaC16H15F4N3S
Molecular Weight357.38 g/mol
Exact Mass357.09
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(N3CCSCC3)cc2)c1F
InChIInChI=1S/C16H15F4N3S/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22)
InChIKeyKPVZJPIJXARMTJ-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338821
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
(4-thiomorpholin-4-ylphenyl)methanol
CID 20684072
6-nitro-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 56574095
N-(isoquinolin-7-ylmethyl)-1-(4-thiomorpholin-4-ylphenyl)methanamine
CID 166268997
N-[[4-(1,4-thiazepan-4-yl)phenyl]methyl]propan-1-amine
CID 61419465
N'-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 110934083
methyl N-[4-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]carbamate
CID 133371339
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 111852966
2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
CID 133372087
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 111902075

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine (CID 133338786) is 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCc2ccc(N3CCSCC3)cc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is KPVZJPIJXARMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3S/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine has a molecular weight of 357.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).