1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol

C9H10N2O3S2 — CID 70606010

IUPAC1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1nsnc1-c1cccs1
InChIInChI=1S/C9H10N2O3S2/c12-4-5(13)9(14)8-7(10-16-11-8)6-2-1-3-15-6/h1-3,5,9,12-14H,4H2
InChIKeyBZLYMJVRDISSQU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds4

About 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol

1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol (PubChem CID 70606010) has the molecular formula C9H10N2O3S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol
PubChem CID70606010
Molecular FormulaC9H10N2O3S2
Molecular Weight258.32 g/mol
Exact Mass258.01
IUPAC Name1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1nsnc1-c1cccs1
InChIInChI=1S/C9H10N2O3S2/c12-4-5(13)9(14)8-7(10-16-11-8)6-2-1-3-15-6/h1-3,5,9,12-14H,4H2
InChIKeyBZLYMJVRDISSQU-UHFFFAOYSA-N
XLogP0.65
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol (CID 70606010) is 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol is OCC(O)C(O)c1nsnc1-c1cccs1.
What is the InChIKey of 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol?
The InChIKey is BZLYMJVRDISSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S2/c12-4-5(13)9(14)8-7(10-16-11-8)6-2-1-3-15-6/h1-3,5,9,12-14H,4H2.
What are the key properties of 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol?
1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol has a molecular weight of 258.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-yl-1,2,5-thiadiazol-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 70606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).