ethane;3-methyl-1,2-thiazole

C8H17NS — CID 91311245

IUPACethane;3-methyl-1,2-thiazole
SMILESCC.CC.Cc1ccsn1
InChIInChI=1S/C4H5NS.2C2H6/c1-4-2-3-6-5-4;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyCSTMKKUHVGELRO-UHFFFAOYSA-N
MW159.30 g/mol
LogP3.50
Rot. Bonds

About ethane;3-methyl-1,2-thiazole

ethane;3-methyl-1,2-thiazole (PubChem CID 91311245) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;3-methyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;3-methyl-1,2-thiazole
PubChem CID91311245
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;3-methyl-1,2-thiazole
SMILESCC.CC.Cc1ccsn1
InChIInChI=1S/C4H5NS.2C2H6/c1-4-2-3-6-5-4;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyCSTMKKUHVGELRO-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-thiazole?
The IUPAC name of ethane;3-methyl-1,2-thiazole (CID 91311245) is ethane;3-methyl-1,2-thiazole.
What is the SMILES notation for ethane;3-methyl-1,2-thiazole?
The canonical SMILES for ethane;3-methyl-1,2-thiazole is CC.CC.Cc1ccsn1.
What is the InChIKey of ethane;3-methyl-1,2-thiazole?
The InChIKey is CSTMKKUHVGELRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.2C2H6/c1-4-2-3-6-5-4;2*1-2/h2-3H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,2-thiazole?
ethane;3-methyl-1,2-thiazole has a molecular weight of 159.30 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-thiazole is sourced from PubChem (CID 91311245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).