5-ethylidene-4-propan-2-ylidene-1,3-thiazole

C8H11NS — CID 91081809

IUPAC5-ethylidene-4-propan-2-ylidene-1,3-thiazole
SMILESCC=c1scnc1=C(C)C
InChIInChI=1S/C8H11NS/c1-4-7-8(6(2)3)9-5-10-7/h4-5H,1-3H3
InChIKeyWLKSDWCSOXBLEO-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.13
Rot. Bonds

About 5-ethylidene-4-propan-2-ylidene-1,3-thiazole

5-ethylidene-4-propan-2-ylidene-1,3-thiazole (PubChem CID 91081809) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-ethylidene-4-propan-2-ylidene-1,3-thiazole.

Molecular Properties

Compound Name5-ethylidene-4-propan-2-ylidene-1,3-thiazole
PubChem CID91081809
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-ethylidene-4-propan-2-ylidene-1,3-thiazole
SMILESCC=c1scnc1=C(C)C
InChIInChI=1S/C8H11NS/c1-4-7-8(6(2)3)9-5-10-7/h4-5H,1-3H3
InChIKeyWLKSDWCSOXBLEO-UHFFFAOYSA-N
XLogP1.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

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Related Compounds

4,5-Di(propan-2-ylidene)-1,3-thiazole
CID 57564419
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
4-(3-Methylbut-2-enylidene)-5-methylidene-1,3-thiazole
CID 124009275
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
CID 130239694
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855
ethane;(5E)-5-ethylidene-4-methylidene-1,3-thiazole
CID 141841365
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
CID 142260644
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875396

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-propan-2-ylidene-1,3-thiazole?
The IUPAC name of 5-ethylidene-4-propan-2-ylidene-1,3-thiazole (CID 91081809) is 5-ethylidene-4-propan-2-ylidene-1,3-thiazole.
What is the SMILES notation for 5-ethylidene-4-propan-2-ylidene-1,3-thiazole?
The canonical SMILES for 5-ethylidene-4-propan-2-ylidene-1,3-thiazole is CC=c1scnc1=C(C)C.
What is the InChIKey of 5-ethylidene-4-propan-2-ylidene-1,3-thiazole?
The InChIKey is WLKSDWCSOXBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-7-8(6(2)3)9-5-10-7/h4-5H,1-3H3.
What are the key properties of 5-ethylidene-4-propan-2-ylidene-1,3-thiazole?
5-ethylidene-4-propan-2-ylidene-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-propan-2-ylidene-1,3-thiazole is sourced from PubChem (CID 91081809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).