N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine

C7H13N3OS — CID 104577034

IUPACN-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)OCCNc1ncns1
InChIInChI=1S/C7H13N3OS/c1-6(2)11-4-3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBDFZUKZRSFJWMK-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.38
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine

N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 104577034) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID104577034
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC NameN-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)OCCNc1ncns1
InChIInChI=1S/C7H13N3OS/c1-6(2)11-4-3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBDFZUKZRSFJWMK-UHFFFAOYSA-N
XLogP1.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine (CID 104577034) is N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine is CC(C)OCCNc1ncns1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BDFZUKZRSFJWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(2)11-4-3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine?
N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104577034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).