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

C14H25NS — CID 155042066

IUPAC2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1csc(C(C)(C)C(C)C)n1
InChIInChI=1S/C14H25NS/c1-8-13(4,5)11-9-16-12(15-11)14(6,7)10(2)3/h9-10H,8H2,1-7H3
InChIKeyXBZKEIUJVVZWNG-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.76
Rot. Bonds4

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

2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole (PubChem CID 155042066) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
PubChem CID155042066
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1csc(C(C)(C)C(C)C)n1
InChIInChI=1S/C14H25NS/c1-8-13(4,5)11-9-16-12(15-11)14(6,7)10(2)3/h9-10H,8H2,1-7H3
InChIKeyXBZKEIUJVVZWNG-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 130586456
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 70810015
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
CID 102929394
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097442
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
3-tert-butyl-5-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethylhexan-2-yl]-1,2-thiazole
CID 139317576

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole (CID 155042066) is 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole is CCC(C)(C)c1csc(C(C)(C)C(C)C)n1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is XBZKEIUJVVZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-8-13(4,5)11-9-16-12(15-11)14(6,7)10(2)3/h9-10H,8H2,1-7H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole?
2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 239.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 155042066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).