[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone

C16H19F3N6O2S — CID 130419517

IUPAC[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N6O2S/c1-3-20-11-10(16(17,18)19)8-21-15(23-11)24-12-9(2)22-13(28-12)14(26)25-4-6-27-7-5-25/h8H,3-7H2,1-2H3,(H2,20,21,23,24)
InChIKeyVADNHPOTSMHVFN-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.91
Rot. Bonds5

About [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone

[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 130419517) has the molecular formula C16H19F3N6O2S and a molecular weight of 416.43 g/mol. Its IUPAC name is [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID130419517
Molecular FormulaC16H19F3N6O2S
Molecular Weight416.43 g/mol
Exact Mass416.12
IUPAC Name[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N6O2S/c1-3-20-11-10(16(17,18)19)8-21-15(23-11)24-12-9(2)22-13(28-12)14(26)25-4-6-27-7-5-25/h8H,3-7H2,1-2H3,(H2,20,21,23,24)
InChIKeyVADNHPOTSMHVFN-UHFFFAOYSA-N
XLogP2.91
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 130419525
(3,3-Difluoropyrrolidin-1-yl)-[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]methanone
CID 130419639
[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 130419642
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419714
5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 130419723
2-[5-[[4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419724
4-[3-[[2-[[2-[4-[2-(Dimethylamino)acetyl]piperazin-1-yl]-5-methyl-1,3-thiazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-3-one
CID 155270036
4-[3-[[2-[[2-[4-[2-(Dimethylamino)acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-3-one
CID 155270162
4-[3-[[2-[[2-(1-Methylpiperidin-4-yl)-1,3-thiazol-5-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-3-one
CID 155270165
4-[3-[[2-[[5-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 155270197
4-[3-[[2-[[4-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 155270207
3-[3-[[2-[[4-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,3-oxazinan-2-one
CID 155270235

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 130419517) is [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is CCNc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VADNHPOTSMHVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2S/c1-3-20-11-10(16(17,18)19)8-21-15(23-11)24-12-9(2)22-13(28-12)14(26)25-4-6-27-7-5-25/h8H,3-7H2,1-2H3,(H2,20,21,23,24).
What are the key properties of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 416.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 130419517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).