2-tert-butyl-3-methyl-2H-1,3-thiazole

C8H15NS — CID 174928378

IUPAC2-tert-butyl-3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-8(2,3)7-9(4)5-6-10-7/h5-7H,1-4H3
InChIKeyDAJKRJHIIFKSLJ-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.51
Rot. Bonds

About 2-tert-butyl-3-methyl-2H-1,3-thiazole

2-tert-butyl-3-methyl-2H-1,3-thiazole (PubChem CID 174928378) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-2H-1,3-thiazole
PubChem CID174928378
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-tert-butyl-3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-8(2,3)7-9(4)5-6-10-7/h5-7H,1-4H3
InChIKeyDAJKRJHIIFKSLJ-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-Dimethylpropyl)-1,3-thiazole-2-thione
CID 21060356
2-methyl-3-propyl-2H-1,3-thiazole
CID 22419292
3-propyl-2H-1,3-thiazole
CID 54072042
2-Methylidene-3-propyl-1,3-thiazole
CID 59168910
2,3-di(propan-2-yl)-2H-1,3-thiazole
CID 121260876
3-methyl-2-propan-2-yl-2H-1,3-thiazole
CID 135194028
2,3-diethyl-2H-1,3-thiazole
CID 146223311
2-Tert-butyl-2,3-dihydro-1,3-thiazole
CID 146657074
3-(2-methylpropyl)-2H-1,3-thiazole
CID 154165307
2-ethyl-3-methyl-2H-1,3-thiazole
CID 154205411
3-methyl-2-(2-methylpropyl)-2H-1,3-thiazole
CID 155204744
2-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
CID 164786408

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-2H-1,3-thiazole?
The IUPAC name of 2-tert-butyl-3-methyl-2H-1,3-thiazole (CID 174928378) is 2-tert-butyl-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-3-methyl-2H-1,3-thiazole is CN1C=CSC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-2H-1,3-thiazole?
The InChIKey is DAJKRJHIIFKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2,3)7-9(4)5-6-10-7/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-3-methyl-2H-1,3-thiazole?
2-tert-butyl-3-methyl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 174928378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).