5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C16H22N2S — CID 93202790

IUPAC5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-11-14(19-15(17-5)18-11)10-12-6-8-13(9-7-12)16(2,3)4/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyBEKSQDUNAWGKOR-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.38
Rot. Bonds3

About 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 93202790) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID93202790
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-11-14(19-15(17-5)18-11)10-12-6-8-13(9-7-12)16(2,3)4/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyBEKSQDUNAWGKOR-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054603
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193716
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
3-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94761129
2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177147576
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 93202790) is 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(Cc2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is BEKSQDUNAWGKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11-14(19-15(17-5)18-11)10-12-6-8-13(9-7-12)16(2,3)4/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 93202790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).