(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol

C14H16FN3OS — CID 99857861

IUPAC(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol
SMILESCSc1cncc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3OS/c1-9(14(19)10-3-5-11(15)6-4-10)17-12-7-16-8-13(18-12)20-2/h3-9,14,19H,1-2H3,(H,17,18)/t9-,14-/m1/s1
InChIKeyLFKKKNOUYRCOTN-YMTOWFKASA-N
MW293.37 g/mol
LogP2.87
Rot. Bonds5

About (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol

(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol (PubChem CID 99857861) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol
PubChem CID99857861
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol
SMILESCSc1cncc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3OS/c1-9(14(19)10-3-5-11(15)6-4-10)17-12-7-16-8-13(18-12)20-2/h3-9,14,19H,1-2H3,(H,17,18)/t9-,14-/m1/s1
InChIKeyLFKKKNOUYRCOTN-YMTOWFKASA-N
XLogP2.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
CID 86805519
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866
1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
CID 91651075
(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
CID 95624699
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-2-methylbutan-1-ol
CID 133389778
(1S,2R)-1-(4-fluorophenyl)-2-(4-methylsulfonylanilino)propan-1-ol
CID 99857846
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 97237255
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
CID 169260425
(1S,2R)-2-(2-bromo-5-fluoro-4-pyridinyl)-1-(4-fluorophenyl)propan-1-ol
CID 89136634

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol?
The IUPAC name of (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol (CID 99857861) is (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol?
The canonical SMILES for (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol is CSc1cncc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)n1.
What is the InChIKey of (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol?
The InChIKey is LFKKKNOUYRCOTN-YMTOWFKASA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-9(14(19)10-3-5-11(15)6-4-10)17-12-7-16-8-13(18-12)20-2/h3-9,14,19H,1-2H3,(H,17,18)/t9-,14-/m1/s1.
What are the key properties of (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol?
(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 99857861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).