2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole

C10H15NS — CID 123540545

IUPAC2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
SMILESCC=C(C)C=C1SC(C)=NC1C
InChIInChI=1S/C10H15NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6,8H,1-4H3
InChIKeyMFQKLCSWIZYUNL-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.39
Rot. Bonds1

About 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole

2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole (PubChem CID 123540545) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
PubChem CID123540545
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
SMILESCC=C(C)C=C1SC(C)=NC1C
InChIInChI=1S/C10H15NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6,8H,1-4H3
InChIKeyMFQKLCSWIZYUNL-UHFFFAOYSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458
2,7-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495237
2,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834119
6-Ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834153
2,5,6-Trimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 90084878
2,7a-dimethyl-3aH-1,3-benzothiazole
CID 118312068
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428
6-Methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole
CID 123140139

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole (CID 123540545) is 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole is CC=C(C)C=C1SC(C)=NC1C.
What is the InChIKey of 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole?
The InChIKey is MFQKLCSWIZYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6,8H,1-4H3.
What are the key properties of 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole?
2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole is sourced from PubChem (CID 123540545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).