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

C7H12N2OS — CID 126985727

IUPAC3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)sn1
InChIInChI=1S/C7H12N2OS/c1-5-4-7(11-9-5)6(10)2-3-8/h4,6,10H,2-3,8H2,1H3
InChIKeyXZWAXXRJWNAYCY-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.83
Rot. Bonds3

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

3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 126985727) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
PubChem CID126985727
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)sn1
InChIInChI=1S/C7H12N2OS/c1-5-4-7(11-9-5)6(10)2-3-8/h4,6,10H,2-3,8H2,1H3
InChIKeyXZWAXXRJWNAYCY-UHFFFAOYSA-N
XLogP0.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(3-methyl-1,2-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 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (CID 126985727) is 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is Cc1cc(C(O)CCN)sn1.
What is the InChIKey of 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is XZWAXXRJWNAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-4-7(11-9-5)6(10)2-3-8/h4,6,10H,2-3,8H2,1H3.
What are the key properties of 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 126985727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).