ethane;1H-pyrrole;1,3-thiazole

C11H20N2S — CID 159886738

IUPACethane;1H-pyrrole;1,3-thiazole
SMILESCC.CC.c1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-5H;1-3H;2*1-2H3
InChIKeyNUFPEDKWHQLHPP-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.21
Rot. Bonds

About ethane;1H-pyrrole;1,3-thiazole

ethane;1H-pyrrole;1,3-thiazole (PubChem CID 159886738) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Nameethane;1H-pyrrole;1,3-thiazole
PubChem CID159886738
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Nameethane;1H-pyrrole;1,3-thiazole
SMILESCC.CC.c1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-5H;1-3H;2*1-2H3
InChIKeyNUFPEDKWHQLHPP-UHFFFAOYSA-N
XLogP4.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrrole;1,3-thiazole?
The IUPAC name of ethane;1H-pyrrole;1,3-thiazole (CID 159886738) is ethane;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for ethane;1H-pyrrole;1,3-thiazole?
The canonical SMILES for ethane;1H-pyrrole;1,3-thiazole is CC.CC.c1cc[nH]c1.c1cscn1.
What is the InChIKey of ethane;1H-pyrrole;1,3-thiazole?
The InChIKey is NUFPEDKWHQLHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-5H;1-3H;2*1-2H3.
What are the key properties of ethane;1H-pyrrole;1,3-thiazole?
ethane;1H-pyrrole;1,3-thiazole has a molecular weight of 212.36 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 159886738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).