3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

C9H16N2OS2 — CID 114370515

IUPAC3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nccs1
InChIInChI=1S/C9H16N2OS2/c1-6(2)8(10)7(5-12)14-9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3
InChIKeyZUNGUKGOKDUREQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.58
Rot. Bonds5

About 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol

3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 114370515) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID114370515
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nccs1
InChIInChI=1S/C9H16N2OS2/c1-6(2)8(10)7(5-12)14-9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3
InChIKeyZUNGUKGOKDUREQ-UHFFFAOYSA-N
XLogP1.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol (CID 114370515) is 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is CC(C)C(N)C(CO)Sc1nccs1.
What is the InChIKey of 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is ZUNGUKGOKDUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-6(2)8(10)7(5-12)14-9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol?
3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 114370515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).