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

C10H13NS — CID 123191476

IUPAC2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)sc1=CC(C)=CC
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,3H2,1-2,4H3
InChIKeyUXXGEWZBSVNBRF-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.61
Rot. Bonds1

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

2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole (PubChem CID 123191476) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
PubChem CID123191476
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)sc1=CC(C)=CC
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,3H2,1-2,4H3
InChIKeyUXXGEWZBSVNBRF-UHFFFAOYSA-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-6H-cycloocta[d][1,3]thiazole
CID 123408513
2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
CID 123540545
2-Methyl-7,8-dihydrocycloocta[d][1,3]thiazole
CID 123818995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole (CID 123191476) is 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole is C=c1nc(C)sc1=CC(C)=CC.
What is the InChIKey of 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole?
The InChIKey is UXXGEWZBSVNBRF-UHFFFAOYSA-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.
What are the key properties of 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole?
2-methyl-5-(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 2-methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 123191476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).