(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane

C11H17NS — CID 145296641

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane
SMILESC=c1snc(C)/c1=C/C=C\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-11-8(9)3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,9-6-;
InChIKeyQAXFSAHKYCYZPA-HRELPHSOSA-N
MW195.33 g/mol
LogP2.24
Rot. Bonds1

About (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane

(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane (PubChem CID 145296641) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane
PubChem CID145296641
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane
SMILESC=c1snc(C)/c1=C/C=C\C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-11-8(9)3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,9-6-;
InChIKeyQAXFSAHKYCYZPA-HRELPHSOSA-N
XLogP2.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane (CID 145296641) is (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane is C=c1snc(C)/c1=C/C=C\C.CC.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane?
The InChIKey is QAXFSAHKYCYZPA-HRELPHSOSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-11-8(9)3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,9-6-;.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane?
(4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane has a molecular weight of 195.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-enylidene]-3-methyl-5-methylidene-1,2-thiazole;ethane is sourced from PubChem (CID 145296641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).