4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine

C9H16N4O2S2 — CID 55045006

IUPAC4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N4O2S2/c1-2-4-10-9-8(11-12-16-9)7-13-5-3-6-17(13,14)15/h10H,2-7H2,1H3
InChIKeyULEDKWXINJSCFS-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.90
Rot. Bonds5

About 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55045006) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID55045006
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N4O2S2/c1-2-4-10-9-8(11-12-16-9)7-13-5-3-6-17(13,14)15/h10H,2-7H2,1H3
InChIKeyULEDKWXINJSCFS-UHFFFAOYSA-N
XLogP0.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine (CID 55045006) is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCCS1(=O)=O.
What is the InChIKey of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is ULEDKWXINJSCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-2-4-10-9-8(11-12-16-9)7-13-5-3-6-17(13,14)15/h10H,2-7H2,1H3.
What are the key properties of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55045006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).