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

C10H13NS — CID 142967454

IUPAC(5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)s/c1=C/C(C)=C/C
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,3H2,1-2,4H3/b7-5+,10-6+
InChIKeyUXXGEWZBSVNBRF-YLNKAEQOSA-N
MW179.29 g/mol
LogP1.61
Rot. Bonds1

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

(5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole (PubChem CID 142967454) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole
PubChem CID142967454
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)s/c1=C/C(C)=C/C
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,3H2,1-2,4H3/b7-5+,10-6+
InChIKeyUXXGEWZBSVNBRF-YLNKAEQOSA-N
XLogP1.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

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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-6-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 162553782
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
2,7-dimethyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 57951438
2,5-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 67596976
(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
2,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 89217474
2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
CID 90794537
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-methyl-6H-cycloocta[d][1,3]thiazole
CID 123408513
2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
CID 123540545

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole?
The IUPAC name of (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole (CID 142967454) is (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole?
The canonical SMILES for (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole is C=c1nc(C)s/c1=C/C(C)=C/C.
What is the InChIKey of (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole?
The InChIKey is UXXGEWZBSVNBRF-YLNKAEQOSA-N. The full InChI is InChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,3H2,1-2,4H3/b7-5+,10-6+.
What are the key properties of (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole?
(5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole has a molecular weight of 179.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-5-[(E)-2-methylbut-2-enylidene]-4-methylidene-1,3-thiazole is sourced from PubChem (CID 142967454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).