2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde

C8H12N2OS — CID 84659689

IUPAC2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)c1sc(N)nc1C=O
InChIInChI=1S/C8H12N2OS/c1-8(2,3)6-5(4-11)10-7(9)12-6/h4H,1-3H3,(H2,9,10)
InChIKeyTULPKGLUYBIGDU-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde

2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde (PubChem CID 84659689) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde
PubChem CID84659689
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde
SMILESCC(C)(C)c1sc(N)nc1C=O
InChIInChI=1S/C8H12N2OS/c1-8(2,3)6-5(4-11)10-7(9)12-6/h4H,1-3H3,(H2,9,10)
InChIKeyTULPKGLUYBIGDU-UHFFFAOYSA-N
XLogP1.84
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde (CID 84659689) is 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde is CC(C)(C)c1sc(N)nc1C=O.
What is the InChIKey of 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is TULPKGLUYBIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,3)6-5(4-11)10-7(9)12-6/h4H,1-3H3,(H2,9,10).
What are the key properties of 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde?
2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 184.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84659689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).