N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine

C10H17N3O2S2 — CID 65271680

IUPACN-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-8-4-6-17(14,15)7-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyHSFYKIULEPHHBX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.48
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271680) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271680
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-8-4-6-17(14,15)7-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyHSFYKIULEPHHBX-UHFFFAOYSA-N
XLogP1.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271680) is N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HSFYKIULEPHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-8-4-6-17(14,15)7-5-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).