4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C20H20F3N7OS — CID 59579859

IUPAC4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H20F3N7OS/c1-2-13-15(32-18(28-13)16-24-7-3-8-25-16)17(31)27-12-5-10-30(11-6-12)19-26-9-4-14(29-19)20(21,22)23/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,27,31)
InChIKeyQEWZPFJMERDSQH-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.37
Rot. Bonds5

About 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 59579859) has the molecular formula C20H20F3N7OS and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID59579859
Molecular FormulaC20H20F3N7OS
Molecular Weight463.49 g/mol
Exact Mass463.14
IUPAC Name4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H20F3N7OS/c1-2-13-15(32-18(28-13)16-24-7-3-8-25-16)17(31)27-12-5-10-30(11-6-12)19-26-9-4-14(29-19)20(21,22)23/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,27,31)
InChIKeyQEWZPFJMERDSQH-UHFFFAOYSA-N
XLogP3.37
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 59579859) is 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QEWZPFJMERDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7OS/c1-2-13-15(32-18(28-13)16-24-7-3-8-25-16)17(31)27-12-5-10-30(11-6-12)19-26-9-4-14(29-19)20(21,22)23/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,27,31).
What are the key properties of 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).