4,5-dihydro-1,3-thiazole;ethane

C7H17NS — CID 91016220

IUPAC4,5-dihydro-1,3-thiazole;ethane
SMILESC1=NCCS1.CC.CC
InChIInChI=1S/C3H5NS.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3
InChIKeyHJDGZYXRLZWELA-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.81
Rot. Bonds

About 4,5-dihydro-1,3-thiazole;ethane

4,5-dihydro-1,3-thiazole;ethane (PubChem CID 91016220) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazole;ethane.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazole;ethane
PubChem CID91016220
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name4,5-dihydro-1,3-thiazole;ethane
SMILESC1=NCCS1.CC.CC
InChIInChI=1S/C3H5NS.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3
InChIKeyHJDGZYXRLZWELA-UHFFFAOYSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazole;ethane?
The IUPAC name of 4,5-dihydro-1,3-thiazole;ethane (CID 91016220) is 4,5-dihydro-1,3-thiazole;ethane.
What is the SMILES notation for 4,5-dihydro-1,3-thiazole;ethane?
The canonical SMILES for 4,5-dihydro-1,3-thiazole;ethane is C1=NCCS1.CC.CC.
What is the InChIKey of 4,5-dihydro-1,3-thiazole;ethane?
The InChIKey is HJDGZYXRLZWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS.2C2H6/c1-2-5-3-4-1;2*1-2/h3H,1-2H2;2*1-2H3.
What are the key properties of 4,5-dihydro-1,3-thiazole;ethane?
4,5-dihydro-1,3-thiazole;ethane has a molecular weight of 147.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazole;ethane is sourced from PubChem (CID 91016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).