2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole

C9H15NS — CID 130586456

IUPAC2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1csc(C)n1
InChIInChI=1S/C9H15NS/c1-5-9(3,4)8-6-11-7(2)10-8/h6H,5H2,1-4H3
InChIKeyABPMAYVIMVNSQS-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole

2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole (PubChem CID 130586456) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
PubChem CID130586456
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1csc(C)n1
InChIInChI=1S/C9H15NS/c1-5-9(3,4)8-6-11-7(2)10-8/h6H,5H2,1-4H3
InChIKeyABPMAYVIMVNSQS-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole
CID 131966091
2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 155042066
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82598274
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 70810015
1-(2-methylcyclopropyl)-1-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 130690383
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 116891623
2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
CID 118871472
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole
CID 163868443
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole (CID 130586456) is 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole is CCC(C)(C)c1csc(C)n1.
What is the InChIKey of 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is ABPMAYVIMVNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-9(3,4)8-6-11-7(2)10-8/h6H,5H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole?
2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 130586456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).