4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine

C14H22N4S — CID 3542449

IUPAC4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(C(C)(C)C)[nH]2)n1
InChIInChI=1S/C14H22N4S/c1-13(2,3)9-7-15-11(16-9)18-12-17-10(8-19-12)14(4,5)6/h7-8H,1-6H3,(H2,15,16,17,18)
InChIKeyPQEIXDIZGWTPNL-UHFFFAOYSA-N
MW278.43 g/mol
LogP4.20
Rot. Bonds2

About 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine

4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 3542449) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID3542449
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(C(C)(C)C)[nH]2)n1
InChIInChI=1S/C14H22N4S/c1-13(2,3)9-7-15-11(16-9)18-12-17-10(8-19-12)14(4,5)6/h7-8H,1-6H3,(H2,15,16,17,18)
InChIKeyPQEIXDIZGWTPNL-UHFFFAOYSA-N
XLogP4.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine (CID 3542449) is 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2ncc(C(C)(C)C)[nH]2)n1.
What is the InChIKey of 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is PQEIXDIZGWTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-13(2,3)9-7-15-11(16-9)18-12-17-10(8-19-12)14(4,5)6/h7-8H,1-6H3,(H2,15,16,17,18).
What are the key properties of 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 278.43 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3542449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).