ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole

C8H17NS — CID 143886033

IUPACethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole
SMILESCC.CCC1=CNC(C)S1
InChIInChI=1S/C6H11NS.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4-5,7H,3H2,1-2H3;1-2H3
InChIKeyKMOCCGQNFQLKSC-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.95
Rot. Bonds1

About ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole

ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 143886033) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole
PubChem CID143886033
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole
SMILESCC.CCC1=CNC(C)S1
InChIInChI=1S/C6H11NS.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4-5,7H,3H2,1-2H3;1-2H3
InChIKeyKMOCCGQNFQLKSC-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole (CID 143886033) is ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole is CC.CCC1=CNC(C)S1.
What is the InChIKey of ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is KMOCCGQNFQLKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4-5,7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole?
ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 159.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143886033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).