2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one

C11H14N4O3S2 — CID 174526396

IUPAC2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one
SMILESNc1nc(C(CO)C(=O)C(CO)c2csc(N)n2)cs1
InChIInChI=1S/C11H14N4O3S2/c12-10-14-7(3-19-10)5(1-16)9(18)6(2-17)8-4-20-11(13)15-8/h3-6,16-17H,1-2H2,(H2,12,14)(H2,13,15)
InChIKeyBBUODJCPZDXQTG-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.19
Rot. Bonds6

About 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one

2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one (PubChem CID 174526396) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one.

Molecular Properties

Compound Name2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one
PubChem CID174526396
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one
SMILESNc1nc(C(CO)C(=O)C(CO)c2csc(N)n2)cs1
InChIInChI=1S/C11H14N4O3S2/c12-10-14-7(3-19-10)5(1-16)9(18)6(2-17)8-4-20-11(13)15-8/h3-6,16-17H,1-2H2,(H2,12,14)(H2,13,15)
InChIKeyBBUODJCPZDXQTG-UHFFFAOYSA-N
XLogP0.19
TPSA135.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one?
The IUPAC name of 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one (CID 174526396) is 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one.
What is the SMILES notation for 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one?
The canonical SMILES for 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one is Nc1nc(C(CO)C(=O)C(CO)c2csc(N)n2)cs1.
What is the InChIKey of 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one?
The InChIKey is BBUODJCPZDXQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-10-14-7(3-19-10)5(1-16)9(18)6(2-17)8-4-20-11(13)15-8/h3-6,16-17H,1-2H2,(H2,12,14)(H2,13,15).
What are the key properties of 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one?
2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one has a molecular weight of 314.39 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-amino-1,3-thiazol-4-yl)-1,5-dihydroxypentan-3-one is sourced from PubChem (CID 174526396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).