2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone — IUPAC name, SMILES, InChIKey & properties

Name: 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 123366278) has the molecular formula C64H56N16O8S4 and a molecular weight of 1305.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name	2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID	123366278
Molecular Formula	C64H56N16O8S4
Molecular Weight	1305.52 g/mol
Exact Mass	1304.33
IUPAC Name	2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILES	CCc1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C.O=C(Cc1nccs1)c1cc(Oc2cncnc2)ccn1
InChI	InChI=1S/C19H20N4O2S.C16H14N4O2S.C15H12N4O2S.C14H10N4O2S/c1-12-18(19(2,3)4)26-17(23-12)8-16(24)15-7-13(5-6-22-15)25-14-9-20-11-21-10-14;1-2-11-9-23-16(20-11)6-15(21)14-5-12(3-4-19-14)22-13-7-17-10-18-8-13;1-10-8-22-15(19-10)5-14(20)13-4-11(2-3-18-13)21-12-6-16-9-17-7-12;19-13(6-14-18-3-4-21-14)12-5-10(1-2-17-12)20-11-7-15-9-16-8-11/h5-7,9-11H,8H2,1-4H3;3-5,7-10H,2,6H2,1H3;2-4,6-9H,5H2,1H3;1-5,7-9H,6H2
InChIKey	JTPRHGUPXXEQBR-UHFFFAOYSA-N
XLogP	12.66
TPSA	311.44 Å²
H-Bond Donors
H-Bond Acceptors	28
Rotatable Bonds	21
Heavy Atoms	92
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.52
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Analyze 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?

The IUPAC name of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (CID 123366278) is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?

The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is CCc1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C.O=C(Cc1nccs1)c1cc(Oc2cncnc2)ccn1.

What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?

The InChIKey is JTPRHGUPXXEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C16H14N4O2S.C15H12N4O2S.C14H10N4O2S/c1-12-18(19(2,3)4)26-17(23-12)8-16(24)15-7-13(5-6-22-15)25-14-9-20-11-21-10-14;1-2-11-9-23-16(20-11)6-15(21)14-5-12(3-4-19-14)22-13-7-17-10-18-8-13;1-10-8-22-15(19-10)5-14(20)13-4-11(2-3-18-13)21-12-6-16-9-17-7-12;19-13(6-14-18-3-4-21-14)12-5-10(1-2-17-12)20-11-7-15-9-16-8-11/h5-7,9-11H,8H2,1-4H3;3-5,7-10H,2,6H2,1H3;2-4,6-9H,5H2,1H3;1-5,7-9H,6H2.

What are the key properties of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?

Where does this data come from?

All data for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 123366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).