(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole

C9H13NS — CID 89319266

IUPAC(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
SMILESC/C=C\C=C1\SC(C)=NC1C
InChIInChI=1S/C9H13NS/c1-4-5-6-9-7(2)10-8(3)11-9/h4-7H,1-3H3/b5-4-,9-6+
InChIKeyFYZHCFQFDNQUJC-KMOPYBJPSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds1

About (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole

(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole (PubChem CID 89319266) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
PubChem CID89319266
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
SMILESC/C=C\C=C1\SC(C)=NC1C
InChIInChI=1S/C9H13NS/c1-4-5-6-9-7(2)10-8(3)11-9/h4-7H,1-3H3/b5-4-,9-6+
InChIKeyFYZHCFQFDNQUJC-KMOPYBJPSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole (CID 89319266) is (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole is C/C=C\C=C1\SC(C)=NC1C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole?
The InChIKey is FYZHCFQFDNQUJC-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-5-6-9-7(2)10-8(3)11-9/h4-7H,1-3H3/b5-4-,9-6+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole?
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole is sourced from PubChem (CID 89319266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).