ethane;4-methyl-2,3-dihydro-1,3-thiazole

C6H13NS — CID 143536620

IUPACethane;4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC.CC1=CSCN1
InChIInChI=1S/C4H7NS.C2H6/c1-4-2-6-3-5-4;1-2/h2,5H,3H2,1H3;1-2H3
InChIKeyVWGHKPNOXFFXOR-UHFFFAOYSA-N
MW131.24 g/mol
LogP2.17
Rot. Bonds

About ethane;4-methyl-2,3-dihydro-1,3-thiazole

ethane;4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 143536620) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is ethane;4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID143536620
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Nameethane;4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC.CC1=CSCN1
InChIInChI=1S/C4H7NS.C2H6/c1-4-2-6-3-5-4;1-2/h2,5H,3H2,1H3;1-2H3
InChIKeyVWGHKPNOXFFXOR-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;4-methyl-2,3-dihydro-1,3-thiazole (CID 143536620) is ethane;4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;4-methyl-2,3-dihydro-1,3-thiazole is CC.CC1=CSCN1.
What is the InChIKey of ethane;4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is VWGHKPNOXFFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.C2H6/c1-4-2-6-3-5-4;1-2/h2,5H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3-dihydro-1,3-thiazole?
ethane;4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 131.24 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143536620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).