6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine

C23H28FN5OS2 — CID 45487448

IUPAC6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF
InChIInChI=1S/C23H28FN5OS2/c1-3-21-20(13-24)28-23(32-21)31-15-18-11-19(29-7-9-30-10-8-29)12-22(27-18)25-14-17-6-4-5-16(2)26-17/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,25,27)
InChIKeyOJWQJNHSFUJYHV-UHFFFAOYSA-N
MW473.64 g/mol
LogP5.01
Rot. Bonds9

About 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine

6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 45487448) has the molecular formula C23H28FN5OS2 and a molecular weight of 473.64 g/mol. Its IUPAC name is 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID45487448
Molecular FormulaC23H28FN5OS2
Molecular Weight473.64 g/mol
Exact Mass473.17
IUPAC Name6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF
InChIInChI=1S/C23H28FN5OS2/c1-3-21-20(13-24)28-23(32-21)31-15-18-11-19(29-7-9-30-10-8-29)12-22(27-18)25-14-17-6-4-5-16(2)26-17/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,25,27)
InChIKeyOJWQJNHSFUJYHV-UHFFFAOYSA-N
XLogP5.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (CID 45487448) is 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is CCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF.
What is the InChIKey of 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is OJWQJNHSFUJYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS2/c1-3-21-20(13-24)28-23(32-21)31-15-18-11-19(29-7-9-30-10-8-29)12-22(27-18)25-14-17-6-4-5-16(2)26-17/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,25,27).
What are the key properties of 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 473.64 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-ethyl-4-(fluoromethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 45487448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).