(5E)-5-butylidene-4-methylidene-1,3-thiazole

C8H11NS — CID 89141823

IUPAC(5E)-5-butylidene-4-methylidene-1,3-thiazole
SMILESC=c1ncs/c1=C/CCC
InChIInChI=1S/C8H11NS/c1-3-4-5-8-7(2)9-6-10-8/h5-6H,2-4H2,1H3/b8-5+
InChIKeyBONMLLXLENZZGI-VMPITWQZSA-N
MW153.25 g/mol
LogP1.13
Rot. Bonds2

About (5E)-5-butylidene-4-methylidene-1,3-thiazole

(5E)-5-butylidene-4-methylidene-1,3-thiazole (PubChem CID 89141823) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (5E)-5-butylidene-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-butylidene-4-methylidene-1,3-thiazole
PubChem CID89141823
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(5E)-5-butylidene-4-methylidene-1,3-thiazole
SMILESC=c1ncs/c1=C/CCC
InChIInChI=1S/C8H11NS/c1-3-4-5-8-7(2)9-6-10-8/h5-6H,2-4H2,1H3/b8-5+
InChIKeyBONMLLXLENZZGI-VMPITWQZSA-N
XLogP1.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-5-butylidene-4-methylidene-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-butylidene-4-methylidene-1,3-thiazole?
The IUPAC name of (5E)-5-butylidene-4-methylidene-1,3-thiazole (CID 89141823) is (5E)-5-butylidene-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5E)-5-butylidene-4-methylidene-1,3-thiazole?
The canonical SMILES for (5E)-5-butylidene-4-methylidene-1,3-thiazole is C=c1ncs/c1=C/CCC.
What is the InChIKey of (5E)-5-butylidene-4-methylidene-1,3-thiazole?
The InChIKey is BONMLLXLENZZGI-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-5-8-7(2)9-6-10-8/h5-6H,2-4H2,1H3/b8-5+.
What are the key properties of (5E)-5-butylidene-4-methylidene-1,3-thiazole?
(5E)-5-butylidene-4-methylidene-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butylidene-4-methylidene-1,3-thiazole is sourced from PubChem (CID 89141823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).