ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C24H45N3S3 — CID 158055888

IUPACethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/3C6H9NS.3C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;3*1-2/h3*3-5H,1-2H3;3*1-2H3
InChIKeyFKAXMAQJNDQLDU-UHFFFAOYSA-N
MW471.85 g/mol
LogP9.88
Rot. Bonds3

About ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158055888) has the molecular formula C24H45N3S3 and a molecular weight of 471.85 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158055888
Molecular FormulaC24H45N3S3
Molecular Weight471.85 g/mol
Exact Mass471.28
IUPAC Nameethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/3C6H9NS.3C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;3*1-2/h3*3-5H,1-2H3;3*1-2H3
InChIKeyFKAXMAQJNDQLDU-UHFFFAOYSA-N
XLogP9.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.85
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158055888) is ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is FKAXMAQJNDQLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9NS.3C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;3*1-2/h3*3-5H,1-2H3;3*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 471.85 g/mol, XLogP of 9.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158055888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).