5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine

C7H13N3OS — CID 12799745

IUPAC5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OC(C)c1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-4(2)11-5(3)6-9-10-7(8)12-6/h4-5H,1-3H3,(H2,8,10)
InChIKeyDDLVOLIFPQWOOK-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.61
Rot. Bonds3

About 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine

5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 12799745) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID12799745
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OC(C)c1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-4(2)11-5(3)6-9-10-7(8)12-6/h4-5H,1-3H3,(H2,8,10)
InChIKeyDDLVOLIFPQWOOK-UHFFFAOYSA-N
XLogP1.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-propan-2-yloxyethyl)-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 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine (CID 12799745) is 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine is CC(C)OC(C)c1nnc(N)s1.
What is the InChIKey of 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DDLVOLIFPQWOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-4(2)11-5(3)6-9-10-7(8)12-6/h4-5H,1-3H3,(H2,8,10).
What are the key properties of 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine?
5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-yloxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).