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

C25H49N3S3 — CID 158369609

IUPACethane;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/3C6H9NS.3C2H6.CH4/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;1H4
InChIKeyGULILLGAIUIEQB-UHFFFAOYSA-N
MW487.89 g/mol
LogP10.51
Rot. Bonds3

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

ethane;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158369609) has the molecular formula C25H49N3S3 and a molecular weight of 487.89 g/mol. Its IUPAC name is ethane;methane;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;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158369609
Molecular FormulaC25H49N3S3
Molecular Weight487.89 g/mol
Exact Mass487.31
IUPAC Nameethane;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/3C6H9NS.3C2H6.CH4/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;1H4
InChIKeyGULILLGAIUIEQB-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Frequently Asked Questions

What is the IUPAC name of ethane;methane;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;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158369609) is ethane;methane;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;methane;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;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is C.CC.CC.CC.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is GULILLGAIUIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9NS.3C2H6.CH4/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;1H4.
What are the key properties of ethane;methane;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
ethane;methane;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 487.89 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;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 158369609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).