[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone

C20H20F3N5O2S2 — CID 144814898

IUPAC[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCOCC4C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C20H20F3N5O2S2/c1-3-16-25-11(2)17(32-16)13-10-31-19(26-13)27-15-5-4-12(8-24-15)18(29)28-6-7-30-9-14(28)20(21,22)23/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,24,26,27)
InChIKeySLHKSCJPAZFAHS-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.68
Rot. Bonds5

About [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone

[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 144814898) has the molecular formula C20H20F3N5O2S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID144814898
Molecular FormulaC20H20F3N5O2S2
Molecular Weight483.54 g/mol
Exact Mass483.10
IUPAC Name[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCOCC4C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C20H20F3N5O2S2/c1-3-16-25-11(2)17(32-16)13-10-31-19(26-13)27-15-5-4-12(8-24-15)18(29)28-6-7-30-9-14(28)20(21,22)23/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,24,26,27)
InChIKeySLHKSCJPAZFAHS-UHFFFAOYSA-N
XLogP4.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone (CID 144814898) is [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone is CCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCOCC4C(F)(F)F)cn3)n2)s1.
What is the InChIKey of [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is SLHKSCJPAZFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2S2/c1-3-16-25-11(2)17(32-16)13-10-31-19(26-13)27-15-5-4-12(8-24-15)18(29)28-6-7-30-9-14(28)20(21,22)23/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,24,26,27).
What are the key properties of [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone?
[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 483.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 144814898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).