4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine

C19H28N2OS — CID 3767969

IUPAC4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1c(C(C)(C)C)cc(-c2csc(N)n2)cc1C(C)(C)C
InChIInChI=1S/C19H28N2OS/c1-8-22-16-13(18(2,3)4)9-12(10-14(16)19(5,6)7)15-11-23-17(20)21-15/h9-11H,8H2,1-7H3,(H2,20,21)
InChIKeySBRAAEWAQBZLJQ-UHFFFAOYSA-N
MW332.51 g/mol
LogP5.39
Rot. Bonds3

About 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine

4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 3767969) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID3767969
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1c(C(C)(C)C)cc(-c2csc(N)n2)cc1C(C)(C)C
InChIInChI=1S/C19H28N2OS/c1-8-22-16-13(18(2,3)4)9-12(10-14(16)19(5,6)7)15-11-23-17(20)21-15/h9-11H,8H2,1-7H3,(H2,20,21)
InChIKeySBRAAEWAQBZLJQ-UHFFFAOYSA-N
XLogP5.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3892662
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 57461655
4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine
CID 82105996
4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine
CID 57461658
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
1-(3,5-ditert-butyl-4-ethoxyphenyl)-2,2,2-trifluoroethanol
CID 83958752
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine (CID 3767969) is 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1c(C(C)(C)C)cc(-c2csc(N)n2)cc1C(C)(C)C.
What is the InChIKey of 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is SBRAAEWAQBZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-8-22-16-13(18(2,3)4)9-12(10-14(16)19(5,6)7)15-11-23-17(20)21-15/h9-11H,8H2,1-7H3,(H2,20,21).
What are the key properties of 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine?
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 332.51 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3767969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).