2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol

C8H14N2OS — CID 83684387

IUPAC2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol
SMILESCC(C)(C)c1sc(CN)nc1O
InChIInChI=1S/C8H14N2OS/c1-8(2,3)6-7(11)10-5(4-9)12-6/h11H,4,9H2,1-3H3
InChIKeyMJGCJLVCJVUHNZ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.60
Rot. Bonds1

About 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol

2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol (PubChem CID 83684387) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol
PubChem CID83684387
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol
SMILESCC(C)(C)c1sc(CN)nc1O
InChIInChI=1S/C8H14N2OS/c1-8(2,3)6-7(11)10-5(4-9)12-6/h11H,4,9H2,1-3H3
InChIKeyMJGCJLVCJVUHNZ-UHFFFAOYSA-N
XLogP1.60
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol (CID 83684387) is 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol is CC(C)(C)c1sc(CN)nc1O.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol?
The InChIKey is MJGCJLVCJVUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(2,3)6-7(11)10-5(4-9)12-6/h11H,4,9H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol?
2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol has a molecular weight of 186.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-1,3-thiazol-4-ol is sourced from PubChem (CID 83684387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).