(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole

C6H9NS — CID 129147823

IUPAC(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole
SMILESC/C=C1\CN=C(C)S1
InChIInChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h3H,4H2,1-2H3/b6-3+
InChIKeyVWHNEKQNWKYBPB-ZZXKWVIFSA-N
MW127.21 g/mol
LogP2.06
Rot. Bonds

About (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole

(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole (PubChem CID 129147823) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole
PubChem CID129147823
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole
SMILESC/C=C1\CN=C(C)S1
InChIInChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h3H,4H2,1-2H3/b6-3+
InChIKeyVWHNEKQNWKYBPB-ZZXKWVIFSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole?
The IUPAC name of (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole (CID 129147823) is (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole is C/C=C1\CN=C(C)S1.
What is the InChIKey of (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole?
The InChIKey is VWHNEKQNWKYBPB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h3H,4H2,1-2H3/b6-3+.
What are the key properties of (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole?
(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-2-methyl-4H-1,3-thiazole is sourced from PubChem (CID 129147823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).