5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole

C32H52N4O2S2 — CID 159203613

IUPAC5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1
InChIInChI=1S/C10H17NO.C8H13NS.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5H,1-4H3;2*4-5H,1-3H3
InChIKeyKPPFTDHURSPZRK-UHFFFAOYSA-N
MW588.93 g/mol
LogP10.26
Rot. Bonds1

About 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole

5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole (PubChem CID 159203613) has the molecular formula C32H52N4O2S2 and a molecular weight of 588.93 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
PubChem CID159203613
Molecular FormulaC32H52N4O2S2
Molecular Weight588.93 g/mol
Exact Mass588.35
IUPAC Name5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1
InChIInChI=1S/C10H17NO.C8H13NS.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5H,1-4H3;2*4-5H,1-3H3
InChIKeyKPPFTDHURSPZRK-UHFFFAOYSA-N
XLogP10.26
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.93
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
5-Tert-butylcyclohex-2-en-1-one;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158524691
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
5-Tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 160010231
Ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 160612260
4-Iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
CID 161136255
3-Methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 161240860
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161245738
1-tert-butyl-2,3-dihydropyridin-6-one;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-(1-tert-butylpyrrolidin-3-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;2,2-dimethylpropane;5-ethynyl-2H-pyrrole
CID 161460600

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole?
The IUPAC name of 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole (CID 159203613) is 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole is CC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.
What is the InChIKey of 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole?
The InChIKey is KPPFTDHURSPZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C8H13NS.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-6-5-7(10-9-6)8(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5H,1-4H3;2*4-5H,1-3H3.
What are the key properties of 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole?
5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole has a molecular weight of 588.93 g/mol, XLogP of 10.26, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 159203613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).