N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

C10H17N3O2S — CID 107648198

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2COC(C)(C)OC2)s1
InChIInChI=1S/C10H17N3O2S/c1-4-8-12-13-9(16-8)11-7-5-14-10(2,3)15-6-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyPCYZPIAZCKZCLI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.66
Rot. Bonds3

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648198) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648198
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2COC(C)(C)OC2)s1
InChIInChI=1S/C10H17N3O2S/c1-4-8-12-13-9(16-8)11-7-5-14-10(2,3)15-6-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyPCYZPIAZCKZCLI-UHFFFAOYSA-N
XLogP1.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648198) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2COC(C)(C)OC2)s1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PCYZPIAZCKZCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-8-12-13-9(16-8)11-7-5-14-10(2,3)15-6-7/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).