4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine

C98H122FN15O3S — CID 159861048

About 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine

4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine (PubChem CID 159861048) has the molecular formula C98H122FN15O3S and a molecular weight of 1609.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine
• PubChem CID: 159861048
• Molecular Formula: C98H122FN15O3S
• Molecular Weight: 1609.22 g/mol
• Exact Mass: 1607.96
• IUPAC Name: 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine
• SMILES: CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CCn1ncc2c(C(C)C)cccc21.Cc1nc(C(C)C)sc1C
• InChI: InChI=1S/C13H14N2.C12H16N2.C12H13NO.2C11H12N2O.C8H10FN.C8H13NS.2C8H11N.C7H10N2/c1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-4-14-12-7-5-6-10(9(2)3)11(12)8-13-14;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-6(2)7-3-4-10-5-8(7)9;1-5(2)8-9-6(3)7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7/h3-10H,1-2H3;5-9H,4H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;5H,1-4H3;2*3-7H,1-2H3;3-6H,1-2H3
• InChIKey: NRDNCRLZEZKURI-UHFFFAOYSA-N
• XLogP: 26.87
• TPSA: 224.81 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.22
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine?

The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine (CID 159861048) is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine.

What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine?

The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine is CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CCn1ncc2c(C(C)C)cccc21.Cc1nc(C(C)C)sc1C.

What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine?

The InChIKey is NRDNCRLZEZKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H16N2.C12H13NO.2C11H12N2O.C8H10FN.C8H13NS.2C8H11N.C7H10N2/c1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-4-14-12-7-5-6-10(9(2)3)11(12)8-13-14;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-6(2)7-3-4-10-5-8(7)9;1-5(2)8-9-6(3)7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7/h3-10H,1-2H3;5-9H,4H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;5H,1-4H3;2*3-7H,1-2H3;3-6H,1-2H3.

What are the key properties of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine?

4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine has a molecular weight of 1609.22 g/mol, XLogP of 26.87, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 159861048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).