2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol

C10H15N5OS — CID 165457874

IUPAC2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(C)(O)c1cn(Cc2csc(N)n2)nn1
InChIInChI=1S/C10H15N5OS/c1-3-10(2,16)8-5-15(14-13-8)4-7-6-17-9(11)12-7/h5-6,16H,3-4H2,1-2H3,(H2,11,12)
InChIKeyHCVCKVXNUKYGNI-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.98
Rot. Bonds4

About 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol

2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol (PubChem CID 165457874) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol
PubChem CID165457874
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(C)(O)c1cn(Cc2csc(N)n2)nn1
InChIInChI=1S/C10H15N5OS/c1-3-10(2,16)8-5-15(14-13-8)4-7-6-17-9(11)12-7/h5-6,16H,3-4H2,1-2H3,(H2,11,12)
InChIKeyHCVCKVXNUKYGNI-UHFFFAOYSA-N
XLogP0.98
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-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-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The IUPAC name of 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol (CID 165457874) is 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol.
What is the SMILES notation for 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The canonical SMILES for 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol is CCC(C)(O)c1cn(Cc2csc(N)n2)nn1.
What is the InChIKey of 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The InChIKey is HCVCKVXNUKYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-10(2,16)8-5-15(14-13-8)4-7-6-17-9(11)12-7/h5-6,16H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol has a molecular weight of 253.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol is sourced from PubChem (CID 165457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).