4-ethyl-2-methylidene-3H-1,3-thiazole

C6H9NS — CID 72574002

IUPAC4-ethyl-2-methylidene-3H-1,3-thiazole
SMILESC=C1NC(CC)=CS1
InChIInChI=1S/C6H9NS/c1-3-6-4-8-5(2)7-6/h4,7H,2-3H2,1H3
InChIKeyXDSOGSCBYYHZIX-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds1

About 4-ethyl-2-methylidene-3H-1,3-thiazole

4-ethyl-2-methylidene-3H-1,3-thiazole (PubChem CID 72574002) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 4-ethyl-2-methylidene-3H-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-methylidene-3H-1,3-thiazole
PubChem CID72574002
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name4-ethyl-2-methylidene-3H-1,3-thiazole
SMILESC=C1NC(CC)=CS1
InChIInChI=1S/C6H9NS/c1-3-6-4-8-5(2)7-6/h4,7H,2-3H2,1H3
InChIKeyXDSOGSCBYYHZIX-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylidene-3H-1,3-thiazole?
The IUPAC name of 4-ethyl-2-methylidene-3H-1,3-thiazole (CID 72574002) is 4-ethyl-2-methylidene-3H-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-methylidene-3H-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-methylidene-3H-1,3-thiazole is C=C1NC(CC)=CS1.
What is the InChIKey of 4-ethyl-2-methylidene-3H-1,3-thiazole?
The InChIKey is XDSOGSCBYYHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-6-4-8-5(2)7-6/h4,7H,2-3H2,1H3.
What are the key properties of 4-ethyl-2-methylidene-3H-1,3-thiazole?
4-ethyl-2-methylidene-3H-1,3-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylidene-3H-1,3-thiazole is sourced from PubChem (CID 72574002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).