3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene

C23H35NOS2 — CID 160610785

IUPAC3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene
SMILESCc1ccoc1C(C)C.Cc1ccsc1C(C)C.Cc1csnc1C(C)C
InChIInChI=1S/C8H12O.C8H12S.C7H11NS/c2*1-6(2)8-7(3)4-5-9-8;1-5(2)7-6(3)4-9-8-7/h2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyRFMHMHXUSUHXSQ-UHFFFAOYSA-N
MW405.67 g/mol
LogP8.47
Rot. Bonds3

About 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene

3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene (PubChem CID 160610785) has the molecular formula C23H35NOS2 and a molecular weight of 405.67 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene
PubChem CID160610785
Molecular FormulaC23H35NOS2
Molecular Weight405.67 g/mol
Exact Mass405.22
IUPAC Name3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene
SMILESCc1ccoc1C(C)C.Cc1ccsc1C(C)C.Cc1csnc1C(C)C
InChIInChI=1S/C8H12O.C8H12S.C7H11NS/c2*1-6(2)8-7(3)4-5-9-8;1-5(2)7-6(3)4-9-8-7/h2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyRFMHMHXUSUHXSQ-UHFFFAOYSA-N
XLogP8.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole
CID 126656948
2-Propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158038521
Methyl 2-propan-2-ylfuran-3-carboxylate;methyl 3-propan-2-yl-1,2-thiazole-4-carboxylate;methyl 2-propan-2-ylthiophene-3-carboxylate
CID 161135873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene?
The IUPAC name of 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene (CID 160610785) is 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene.
What is the SMILES notation for 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene?
The canonical SMILES for 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene is Cc1ccoc1C(C)C.Cc1ccsc1C(C)C.Cc1csnc1C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene?
The InChIKey is RFMHMHXUSUHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C8H12S.C7H11NS/c2*1-6(2)8-7(3)4-5-9-8;1-5(2)7-6(3)4-9-8-7/h2*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene?
3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene has a molecular weight of 405.67 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylfuran;4-methyl-3-propan-2-yl-1,2-thiazole;3-methyl-2-propan-2-ylthiophene is sourced from PubChem (CID 160610785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).