5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C69H110N16O3S5 — CID 159607577

IUPAC5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncns1.CC(C)(C)c1ncsn1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H12N2.C7H11NO.C7H11NS.2C6H10N2S.2C6H10N2.2C6H9NO.2C6H9NS/c1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-7-4-8-9-5;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyMMGULDKRALNTCQ-UHFFFAOYSA-N
MW1372.08 g/mol
LogP20.99
Rot. Bonds6

About 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 159607577) has the molecular formula C69H110N16O3S5 and a molecular weight of 1372.08 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID159607577
Molecular FormulaC69H110N16O3S5
Molecular Weight1372.08 g/mol
Exact Mass1370.76
IUPAC Name5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncns1.CC(C)(C)c1ncsn1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H12N2.C7H11NO.C7H11NS.2C6H10N2S.2C6H10N2.2C6H9NO.2C6H9NS/c1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-7-4-8-9-5;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyMMGULDKRALNTCQ-UHFFFAOYSA-N
XLogP20.99
TPSA254.36 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.08
LogP ≤ 520.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 159607577) is 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncns1.CC(C)(C)c1ncsn1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is MMGULDKRALNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H11NO.C7H11NS.2C6H10N2S.2C6H10N2.2C6H9NO.2C6H9NS/c1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-7-4-8-9-5;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3.
What are the key properties of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1372.08 g/mol, XLogP of 20.99, 6 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159607577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).