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

C15H16F3N5O2S — CID 158767140

IUPAC[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H16F3N5O2S/c1-8-10(15(16,17)18)7-19-14(21-8)22-11-9(2)20-12(26-11)13(24)23-3-5-25-6-4-23/h7H,3-6H2,1-2H3,(H,19,21,22)
InChIKeyVWNVMLIMFOFYHE-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.78
Rot. Bonds3

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

[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 158767140) has the molecular formula C15H16F3N5O2S and a molecular weight of 387.39 g/mol. Its IUPAC name is [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID158767140
Molecular FormulaC15H16F3N5O2S
Molecular Weight387.39 g/mol
Exact Mass387.10
IUPAC Name[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H16F3N5O2S/c1-8-10(15(16,17)18)7-19-14(21-8)22-11-9(2)20-12(26-11)13(24)23-3-5-25-6-4-23/h7H,3-6H2,1-2H3,(H,19,21,22)
InChIKeyVWNVMLIMFOFYHE-UHFFFAOYSA-N
XLogP2.78
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 158767140) is [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is Cc1nc(Nc2sc(C(=O)N3CCOCC3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VWNVMLIMFOFYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2S/c1-8-10(15(16,17)18)7-19-14(21-8)22-11-9(2)20-12(26-11)13(24)23-3-5-25-6-4-23/h7H,3-6H2,1-2H3,(H,19,21,22).
What are the key properties of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 387.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158767140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).