ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole

C27H58N4S4 — CID 158703599

IUPACethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole
SMILESC.C.C.C.CC.CC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1.c1cscn1
InChIInChI=1S/3C4H5NS.C3H3NS.4C2H6.4CH4/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-5-3-4-1;4*1-2;;;;/h3*2-3H,1H3;1-3H;4*1-2H3;4*1H4
InChIKeyIHVPINANYOTXIK-UHFFFAOYSA-N
MW567.06 g/mol
LogP12.15
Rot. Bonds

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

ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole (PubChem CID 158703599) has the molecular formula C27H58N4S4 and a molecular weight of 567.06 g/mol. Its IUPAC name is ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole.

Molecular Properties

Compound Nameethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole
PubChem CID158703599
Molecular FormulaC27H58N4S4
Molecular Weight567.06 g/mol
Exact Mass566.35
IUPAC Nameethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole
SMILESC.C.C.C.CC.CC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1.c1cscn1
InChIInChI=1S/3C4H5NS.C3H3NS.4C2H6.4CH4/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-5-3-4-1;4*1-2;;;;/h3*2-3H,1H3;1-3H;4*1-2H3;4*1H4
InChIKeyIHVPINANYOTXIK-UHFFFAOYSA-N
XLogP12.15
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.06
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole?
The IUPAC name of ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole (CID 158703599) is ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole.
What is the SMILES notation for ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole?
The canonical SMILES for ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole is C.C.C.C.CC.CC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1.c1cscn1.
What is the InChIKey of ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole?
The InChIKey is IHVPINANYOTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5NS.C3H3NS.4C2H6.4CH4/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-5-3-4-1;4*1-2;;;;/h3*2-3H,1H3;1-3H;4*1-2H3;4*1H4.
What are the key properties of ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole?
ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole has a molecular weight of 567.06 g/mol, XLogP of 12.15, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3-thiazole is sourced from PubChem (CID 158703599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).