(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol

C8H14N2OS2 — CID 22843426

IUPAC(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCSCC[C@@H](N)[C@H](O)c1nccs1
InChIInChI=1S/C8H14N2OS2/c1-12-4-2-6(9)7(11)8-10-3-5-13-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1
InChIKeyDILFBCYXOACJDG-RQJHMYQMSA-N
MW218.35 g/mol
LogP1.26
Rot. Bonds5

About (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol

(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 22843426) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID22843426
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCSCC[C@@H](N)[C@H](O)c1nccs1
InChIInChI=1S/C8H14N2OS2/c1-12-4-2-6(9)7(11)8-10-3-5-13-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1
InChIKeyDILFBCYXOACJDG-RQJHMYQMSA-N
XLogP1.26
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-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

Related Compounds

(2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
CID 5288721
(1S,2S)-1-Amino-1-(1,3-thiazol-2-YL)propan-2-OL
CID 445279
2-Amino-3-(1,3-thiazol-2-yl)propan-1-ol dihydrochloride
CID 132353962
(R)-1-(Thiazol-2-yl)propan-1-ol hydrochloride
CID 170913972
2-Fluoro-1-(1,3-thiazol-2-yl)butan-1-ol
CID 58297587
(2S)-2-amino-5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 176185244
(2S)-2-amino-5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-1-ol;hydrochloride
CID 176185380
(2S)-2-amino-6,6,6-trifluoro-1-(1,3-thiazol-2-yl)hexan-1-ol
CID 176185383
(2S)-2-amino-6,6,6-trifluoro-1-(1,3-thiazol-2-yl)hexan-1-ol;hydrochloride
CID 176185439
2-Aminoacetaldehyde;butan-2-ol;5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 176679616
(2R,4R)-4-amino-3,3-difluoro-4-(1,3-thiazol-2-yl)butan-2-ol
CID 178983211
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol (CID 22843426) is (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol is CSCC[C@@H](N)[C@H](O)c1nccs1.
What is the InChIKey of (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is DILFBCYXOACJDG-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-12-4-2-6(9)7(11)8-10-3-5-13-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol?
(1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 218.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 22843426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).