(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole

C10H13NS — CID 142863076

IUPAC(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole
SMILESC=c1sc(C)n/c1=C/C/C=C\C
InChIInChI=1S/C10H13NS/c1-4-5-6-7-10-8(2)12-9(3)11-10/h4-5,7H,2,6H2,1,3H3/b5-4-,10-7+
InChIKeyWYLIXKWITRPCKF-DOIONKORSA-N
MW179.29 g/mol
LogP1.61
Rot. Bonds2

About (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole

(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole (PubChem CID 142863076) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole.

Molecular Properties

Compound Name(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole
PubChem CID142863076
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole
SMILESC=c1sc(C)n/c1=C/C/C=C\C
InChIInChI=1S/C10H13NS/c1-4-5-6-7-10-8(2)12-9(3)11-10/h4-5,7H,2,6H2,1,3H3/b5-4-,10-7+
InChIKeyWYLIXKWITRPCKF-DOIONKORSA-N
XLogP1.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,5E)-5-ethylidene-4-[(E)-3-fluoro-2-methylprop-2-enylidene]-2-methyl-1,3-thiazole
CID 169883021
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
2,7-dimethyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 57951438
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(2E)-2-[(4E)-2-methyl-4-propylidene-1,3-thiazol-5-ylidene]ethanethiol
CID 89029305
(5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 89272485
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277021
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(4E,5E)-5-(iodomethylidene)-2-methyl-4-prop-2-enylidene-1,3-thiazole
CID 117673548
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-methyl-6H-cycloocta[d][1,3]thiazole
CID 123408513
2-Methyl-7,8-dihydrocycloocta[d][1,3]thiazole
CID 123818995

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole?
The IUPAC name of (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole (CID 142863076) is (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole.
What is the SMILES notation for (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole?
The canonical SMILES for (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole is C=c1sc(C)n/c1=C/C/C=C\C.
What is the InChIKey of (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole?
The InChIKey is WYLIXKWITRPCKF-DOIONKORSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-5-6-7-10-8(2)12-9(3)11-10/h4-5,7H,2,6H2,1,3H3/b5-4-,10-7+.
What are the key properties of (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole?
(4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole has a molecular weight of 179.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-5-methylidene-4-[(Z)-pent-3-enylidene]-1,3-thiazole is sourced from PubChem (CID 142863076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).