N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3O2S — CID 65277180

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3O2S/c1-8(2)9-12-10(16-13-9)11-4-5-15-7-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyXJPUFSKQYRLICR-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277180) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277180
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3O2S/c1-8(2)9-12-10(16-13-9)11-4-5-15-7-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyXJPUFSKQYRLICR-UHFFFAOYSA-N
XLogP1.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65277180) is N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is COCCOCCNc1nc(C(C)C)ns1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is XJPUFSKQYRLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)9-12-10(16-13-9)11-4-5-15-7-6-14-3/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).