5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole

C77H89F6N13S6 — CID 159176609

IUPAC5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESCCc1nc(-c2cccnc2)sc1C(C)(C)C.CCc1nc(-c2cccnc2)sc1C(C)C.CCc1nc(-c2cccnc2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1C(C)C.CCc1nc(-c2cncc(F)c2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1N(C)CC(F)(F)F
InChIInChI=1S/C14H18N2S.C13H13F4N3S.C13H15FN2S.C13H16N2S.C12H13FN2S.C12H14N2S/c1-5-11-12(14(2,3)4)17-13(16-11)10-7-6-8-15-9-10;1-3-10-12(20(2)7-13(15,16)17)21-11(19-10)8-4-9(14)6-18-5-8;1-4-11-12(8(2)3)17-13(16-11)9-5-10(14)7-15-6-9;1-4-11-12(9(2)3)16-13(15-11)10-6-5-7-14-8-10;1-3-10-11(4-2)16-12(15-10)8-5-9(13)7-14-6-8;1-3-10-11(4-2)15-12(14-10)9-6-5-7-13-8-9/h6-9H,5H2,1-4H3;4-6H,3,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyKMIZHNUBZYHPRS-UHFFFAOYSA-N
MW1503.04 g/mol
LogP22.69
Rot. Bonds18

About 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole

5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 159176609) has the molecular formula C77H89F6N13S6 and a molecular weight of 1503.04 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
PubChem CID159176609
Molecular FormulaC77H89F6N13S6
Molecular Weight1503.04 g/mol
Exact Mass1501.56
IUPAC Name5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESCCc1nc(-c2cccnc2)sc1C(C)(C)C.CCc1nc(-c2cccnc2)sc1C(C)C.CCc1nc(-c2cccnc2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1C(C)C.CCc1nc(-c2cncc(F)c2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1N(C)CC(F)(F)F
InChIInChI=1S/C14H18N2S.C13H13F4N3S.C13H15FN2S.C13H16N2S.C12H13FN2S.C12H14N2S/c1-5-11-12(14(2,3)4)17-13(16-11)10-7-6-8-15-9-10;1-3-10-12(20(2)7-13(15,16)17)21-11(19-10)8-4-9(14)6-18-5-8;1-4-11-12(8(2)3)17-13(16-11)9-5-10(14)7-15-6-9;1-4-11-12(9(2)3)16-13(15-11)10-6-5-7-14-8-10;1-3-10-11(4-2)16-12(15-10)8-5-9(13)7-14-6-8;1-3-10-11(4-2)15-12(14-10)9-6-5-7-13-8-9/h6-9H,5H2,1-4H3;4-6H,3,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyKMIZHNUBZYHPRS-UHFFFAOYSA-N
XLogP22.69
TPSA157.92 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.04
LogP ≤ 522.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (CID 159176609) is 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is CCc1nc(-c2cccnc2)sc1C(C)(C)C.CCc1nc(-c2cccnc2)sc1C(C)C.CCc1nc(-c2cccnc2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1C(C)C.CCc1nc(-c2cncc(F)c2)sc1CC.CCc1nc(-c2cncc(F)c2)sc1N(C)CC(F)(F)F.
What is the InChIKey of 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KMIZHNUBZYHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.C13H13F4N3S.C13H15FN2S.C13H16N2S.C12H13FN2S.C12H14N2S/c1-5-11-12(14(2,3)4)17-13(16-11)10-7-6-8-15-9-10;1-3-10-12(20(2)7-13(15,16)17)21-11(19-10)8-4-9(14)6-18-5-8;1-4-11-12(8(2)3)17-13(16-11)9-5-10(14)7-15-6-9;1-4-11-12(9(2)3)16-13(15-11)10-6-5-7-14-8-10;1-3-10-11(4-2)16-12(15-10)8-5-9(13)7-14-6-8;1-3-10-11(4-2)15-12(14-10)9-6-5-7-13-8-9/h6-9H,5H2,1-4H3;4-6H,3,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3.
What are the key properties of 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 1503.04 g/mol, XLogP of 22.69, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4,5-diethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4,5-diethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;4-ethyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 159176609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).