2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane

C10H19NS — CID 162228688

IUPAC2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
SMILESC.Cc1nc(C(C)(C)C)sc1C
InChIInChI=1S/C9H15NS.CH4/c1-6-7(2)11-8(10-6)9(3,4)5;/h1-5H3;1H4
InChIKeyZVCOXVVZOFOMQL-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.69
Rot. Bonds

About 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane

2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane (PubChem CID 162228688) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
PubChem CID162228688
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
SMILESC.Cc1nc(C(C)(C)C)sc1C
InChIInChI=1S/C9H15NS.CH4/c1-6-7(2)11-8(10-6)9(3,4)5;/h1-5H3;1H4
InChIKeyZVCOXVVZOFOMQL-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
CID 59872552
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61331926
(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 42958964
methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
CID 116865714
2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
CID 166828190
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
CID 61334818
2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884551
4,5-dimethyl-1,3-thiazol-2-amine bromide
CID 21234862

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane?
The IUPAC name of 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane (CID 162228688) is 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane.
What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane?
The canonical SMILES for 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane is C.Cc1nc(C(C)(C)C)sc1C.
What is the InChIKey of 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane?
The InChIKey is ZVCOXVVZOFOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.CH4/c1-6-7(2)11-8(10-6)9(3,4)5;/h1-5H3;1H4.
What are the key properties of 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane?
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane has a molecular weight of 185.34 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane is sourced from PubChem (CID 162228688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).