2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol

C7H12N2OS2 — CID 84672691

IUPAC2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCSc1ncc(C(O)C(C)N)s1
InChIInChI=1S/C7H12N2OS2/c1-4(8)6(10)5-3-9-7(11-2)12-5/h3-4,6,10H,8H2,1-2H3
InChIKeyTZZLEMXIDPRGPU-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol

2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 84672691) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID84672691
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCSc1ncc(C(O)C(C)N)s1
InChIInChI=1S/C7H12N2OS2/c1-4(8)6(10)5-3-9-7(11-2)12-5/h3-4,6,10H,8H2,1-2H3
InChIKeyTZZLEMXIDPRGPU-UHFFFAOYSA-N
XLogP1.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-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-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol (CID 84672691) is 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol is CSc1ncc(C(O)C(C)N)s1.
What is the InChIKey of 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is TZZLEMXIDPRGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-4(8)6(10)5-3-9-7(11-2)12-5/h3-4,6,10H,8H2,1-2H3.
What are the key properties of 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol?
2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 204.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 84672691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).