4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine

C102H128FN13OS — CID 157388725

IUPAC4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine
SMILESCC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(C2=CN=CC2)c1.CC(C)c1cccc(C2=CN=CC2)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.C13H15N.C12H14N2.C12H16N2.C11H12N2O.C9H11F.C8H13NS.3C8H11N/c1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-4-14-12-7-5-6-10(9(2)3)11(12)8-13-14;1-8(2)10-5-9(3-4-13-10)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;3-5,7-10H,6H2,1-2H3;3-5,7-9H,6H2,1-2H3;5-9H,4H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;3*3-7H,1-2H3
InChIKeyBLSZTUWYCWECJO-UHFFFAOYSA-N
MW1603.30 g/mol
LogP28.40
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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine

4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine (PubChem CID 157388725) has the molecular formula C102H128FN13OS and a molecular weight of 1603.30 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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine.

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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine
PubChem CID157388725
Molecular FormulaC102H128FN13OS
Molecular Weight1603.30 g/mol
Exact Mass1602.01
IUPAC Name4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine
SMILESCC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(C2=CN=CC2)c1.CC(C)c1cccc(C2=CN=CC2)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.C13H15N.C12H14N2.C12H16N2.C11H12N2O.C9H11F.C8H13NS.3C8H11N/c1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-4-14-12-7-5-6-10(9(2)3)11(12)8-13-14;1-8(2)10-5-9(3-4-13-10)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;3-5,7-10H,6H2,1-2H3;3-5,7-9H,6H2,1-2H3;5-9H,4H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;3*3-7H,1-2H3
InChIKeyBLSZTUWYCWECJO-UHFFFAOYSA-N
XLogP28.40
TPSA171.69 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.30
LogP ≤ 528.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

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;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 157754052
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
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

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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine?
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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine (CID 157388725) is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine.
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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine?
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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine is CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(C2=CN=CC2)c1.CC(C)c1cccc(C2=CN=CC2)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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine?
The InChIKey is BLSZTUWYCWECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C13H15N.C12H14N2.C12H16N2.C11H12N2O.C9H11F.C8H13NS.3C8H11N/c1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)11-4-3-5-12(14-11)10-6-7-13-8-10;1-4-14-12-7-5-6-10(9(2)3)11(12)8-13-14;1-8(2)10-5-9(3-4-13-10)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;3-5,7-10H,6H2,1-2H3;3-5,7-9H,6H2,1-2H3;5-9H,4H2,1-3H3;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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine?
4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine has a molecular weight of 1603.30 g/mol, XLogP of 28.40, 15 rotatable bonds, 0 hydrogen bond donors, and 15 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;4-(3-propan-2-ylphenyl)-3H-pyrrole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-6-(3H-pyrrol-4-yl)pyridine is sourced from PubChem (CID 157388725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).