2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

C19H19FN8OS — CID 25102936

IUPAC2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESC[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ccc(F)cn1
InChIInChI=1S/C19H19FN8OS/c1-12(15-3-2-13(20)10-22-15)24-18-25-16(26-19-23-11-14(9-21)30-19)8-17(27-18)28-4-6-29-7-5-28/h2-3,8,10-12H,4-7H2,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKeyZIPDKFHUDBCNEM-LBPRGKRZSA-N
MW426.48 g/mol
LogP3.09
Rot. Bonds6

About 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 25102936) has the molecular formula C19H19FN8OS and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID25102936
Molecular FormulaC19H19FN8OS
Molecular Weight426.48 g/mol
Exact Mass426.14
IUPAC Name2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESC[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ccc(F)cn1
InChIInChI=1S/C19H19FN8OS/c1-12(15-3-2-13(20)10-22-15)24-18-25-16(26-19-23-11-14(9-21)30-19)8-17(27-18)28-4-6-29-7-5-28/h2-3,8,10-12H,4-7H2,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKeyZIPDKFHUDBCNEM-LBPRGKRZSA-N
XLogP3.09
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

Cyc-116
CID 6420138
Ulecaciclib
CID 126535127
6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487447
6-((5-ethyl-4-(fluoromethyl)thiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487448
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
N-cyclopentyl-5-[2-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126534409
N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535157
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-6-(4-methylpiperazin-1-yl)-N4-(5-methylthiazol-2-yl)pyrimidine-2,4-diamine
CID 25104740
6-((5-(fluoromethyl)-4-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487440
5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162645943
N-Ethyl-4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10340715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (CID 25102936) is 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ccc(F)cn1.
What is the InChIKey of 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is ZIPDKFHUDBCNEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN8OS/c1-12(15-3-2-13(20)10-22-15)24-18-25-16(26-19-23-11-14(9-21)30-19)8-17(27-18)28-4-6-29-7-5-28/h2-3,8,10-12H,4-7H2,1H3,(H2,23,24,25,26,27)/t12-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 426.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 25102936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).