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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487447
(S)-2-(2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-morpholinopyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 25102936
6-((4,5-dimethylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487435
6-((5-(fluoromethyl)-4-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487440
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-methylthiazol-2-yl)-6-morpholinopyrimidine-2,4-diamine
CID 25102935
N-(6-methyl-2-pyridinyl)-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 89423221
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
N-cyclopentyl-5-[2-[(5-morpholin-4-ylpyridin-2-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535118
N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296341
2-(6-((4,5-Dimethylthiazol-2-ylthio)methyl)-4-morpholinopyridin-2-ylamino)acetonitrile
CID 44229545
N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
CID 56666788

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).