4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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

C100H124FN13O3S — CID 160858701

IUPAC4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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
SMILESCC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CCn1ncc2c(C(C)C)cccc21.Cc1nc(C(C)C)sc1C
InChIInChI=1S/C13H14N2.C12H16N2.C12H13NO.2C11H12N2O.C9H11F.C8H13NS.3C8H11N/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;1-7(2)8-5-3-4-6-9(8)10;1-5(2)8-9-6(3)7(4)10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;3*3-7H,1-2H3
InChIKeySKEWMCBAOIVIHQ-UHFFFAOYSA-N
MW1607.24 g/mol
LogP28.08
Rot. Bonds15

About 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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

4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 (PubChem CID 160858701) has the molecular formula C100H124FN13O3S and a molecular weight of 1607.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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
PubChem CID160858701
Molecular FormulaC100H124FN13O3S
Molecular Weight1607.24 g/mol
Exact Mass1605.97
IUPAC Name4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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
SMILESCC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CCn1ncc2c(C(C)C)cccc21.Cc1nc(C(C)C)sc1C
InChIInChI=1S/C13H14N2.C12H16N2.C12H13NO.2C11H12N2O.C9H11F.C8H13NS.3C8H11N/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;1-7(2)8-5-3-4-6-9(8)10;1-5(2)8-9-6(3)7(4)10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;3*3-7H,1-2H3
InChIKeySKEWMCBAOIVIHQ-UHFFFAOYSA-N
XLogP28.08
TPSA199.03 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.24
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 with MolForge

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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;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 (CID 160858701) is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 is CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.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;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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?
The InChIKey is SKEWMCBAOIVIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H16N2.C12H13NO.2C11H12N2O.C9H11F.C8H13NS.3C8H11N/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;1-7(2)8-5-3-4-6-9(8)10;1-5(2)8-9-6(3)7(4)10-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;3*3-7H,1-2H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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?
4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 has a molecular weight of 1607.24 g/mol, XLogP of 28.08, 15 rotatable bonds, 0 hydrogen bond donors, and 17 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;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;bis(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 is sourced from PubChem (CID 160858701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).