N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C9H15N3O2S — CID 104772344

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C9H15N3O2S/c1-6-11-8(15-12-6)10-4-7-5-13-9(2,3)14-7/h7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyHUXINWSDDPQHIZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.41
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 104772344) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID104772344
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C9H15N3O2S/c1-6-11-8(15-12-6)10-4-7-5-13-9(2,3)14-7/h7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyHUXINWSDDPQHIZ-UHFFFAOYSA-N
XLogP1.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 104772344) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2COC(C)(C)O2)n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HUXINWSDDPQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-11-8(15-12-6)10-4-7-5-13-9(2,3)14-7/h7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 229.30 g/mol, XLogP of 1.41, 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-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104772344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).