2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole

C57H84F2N6O4S2 — CID 158361403

IUPAC2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccs1.CCOc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H17NO.C10H13F2NO.C10H15NO2S.C10H15N.C9H13N.C7H11NS/c1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-8-4-5-9-6/h6-8H,5H2,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyGTMXZFNIXRXABE-UHFFFAOYSA-N
MW1019.47 g/mol
LogP15.05
Rot. Bonds5

About 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole

2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole (PubChem CID 158361403) has the molecular formula C57H84F2N6O4S2 and a molecular weight of 1019.47 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
PubChem CID158361403
Molecular FormulaC57H84F2N6O4S2
Molecular Weight1019.47 g/mol
Exact Mass1018.60
IUPAC Name2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccs1.CCOc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H17NO.C10H13F2NO.C10H15NO2S.C10H15N.C9H13N.C7H11NS/c1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-8-4-5-9-6/h6-8H,5H2,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyGTMXZFNIXRXABE-UHFFFAOYSA-N
XLogP15.05
TPSA129.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.47
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[5-(2,2-Difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-2-(4-fluorophenyl)-1,3-thiazole
CID 159432532
4-[[5-(1-Benzylpiperidin-4-yl)oxy-4-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-1,3-thiazole
CID 162251095
CID 160785495
CID 160785495
2-[[6-(4-Fluorophenyl)-3-pyridinyl]oxy]-4-methyl-5-(2-pyridin-3-ylethyl)pyridine;6-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-2-methyl-3-(2-pyridin-3-ylethyl)pyridine;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]-3-(2-pyridin-3-ylethyl)pyridine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]-3-(2-pyridin-3-ylethyl)pyridine;2-[4-[[6-methyl-5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 164964765
4,27-Bis[[2-(6-pyridin-2-yl-2-pyridinyl)-1,3-thiazol-4-yl]methoxymethyl]-8,11,14,17,20,23-hexaoxa-3,28-diazatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene
CID 102079497

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole (CID 158361403) is 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole is CC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccs1.CCOc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The InChIKey is GTMXZFNIXRXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H13F2NO.C10H15NO2S.C10H15N.C9H13N.C7H11NS/c1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-8-4-5-9-6/h6-8H,5H2,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole has a molecular weight of 1019.47 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethoxy)pyridine;2-tert-butyl-5-ethoxypyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 158361403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).