(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole

C13H19NS — CID 139436603

IUPAC(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole
SMILESC/C=C\C=c1\c(C(C)CC)ns\c1=C\C
InChIInChI=1S/C13H19NS/c1-5-8-9-11-12(7-3)15-14-13(11)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9+,12-7+
InChIKeyCWXZYOSMMDDJMM-LYCUOUCBSA-N
MW221.37 g/mol
LogP2.81
Rot. Bonds3

About (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole

(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole (PubChem CID 139436603) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole.

Molecular Properties

Compound Name(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole
PubChem CID139436603
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole
SMILESC/C=C\C=c1\c(C(C)CC)ns\c1=C\C
InChIInChI=1S/C13H19NS/c1-5-8-9-11-12(7-3)15-14-13(11)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9+,12-7+
InChIKeyCWXZYOSMMDDJMM-LYCUOUCBSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole?
The IUPAC name of (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole (CID 139436603) is (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole.
What is the SMILES notation for (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole?
The canonical SMILES for (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole is C/C=C\C=c1\c(C(C)CC)ns\c1=C\C.
What is the InChIKey of (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole?
The InChIKey is CWXZYOSMMDDJMM-LYCUOUCBSA-N. The full InChI is InChI=1S/C13H19NS/c1-5-8-9-11-12(7-3)15-14-13(11)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9+,12-7+.
What are the key properties of (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole?
(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole has a molecular weight of 221.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole is sourced from PubChem (CID 139436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).