2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol

C16H30N2O2S — CID 18372918

IUPAC2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
SMILESCCCCCCCCCCc1cc(C(O)C(N)CO)ns1
InChIInChI=1S/C16H30N2O2S/c1-2-3-4-5-6-7-8-9-10-13-11-15(18-21-13)16(20)14(17)12-19/h11,14,16,19-20H,2-10,12,17H2,1H3
InChIKeyDAJMBYYIUMFVQJ-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.18
Rot. Bonds12

About 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol

2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol (PubChem CID 18372918) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
PubChem CID18372918
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
SMILESCCCCCCCCCCc1cc(C(O)C(N)CO)ns1
InChIInChI=1S/C16H30N2O2S/c1-2-3-4-5-6-7-8-9-10-13-11-15(18-21-13)16(20)14(17)12-19/h11,14,16,19-20H,2-10,12,17H2,1H3
InChIKeyDAJMBYYIUMFVQJ-UHFFFAOYSA-N
XLogP3.18
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol (CID 18372918) is 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol is CCCCCCCCCCc1cc(C(O)C(N)CO)ns1.
What is the InChIKey of 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol?
The InChIKey is DAJMBYYIUMFVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-3-4-5-6-7-8-9-10-13-11-15(18-21-13)16(20)14(17)12-19/h11,14,16,19-20H,2-10,12,17H2,1H3.
What are the key properties of 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol?
2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol has a molecular weight of 314.50 g/mol, XLogP of 3.18, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol is sourced from PubChem (CID 18372918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).