3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C11H19N3OS — CID 115044441

IUPAC3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC1(c2nnc(CCCN)s2)CCCCO1
InChIInChI=1S/C11H19N3OS/c1-11(6-2-3-8-15-11)10-14-13-9(16-10)5-4-7-12/h2-8,12H2,1H3
InChIKeyDHJMEUVUDIEYSB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.85
Rot. Bonds4

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

3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 115044441) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID115044441
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC1(c2nnc(CCCN)s2)CCCCO1
InChIInChI=1S/C11H19N3OS/c1-11(6-2-3-8-15-11)10-14-13-9(16-10)5-4-7-12/h2-8,12H2,1H3
InChIKeyDHJMEUVUDIEYSB-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 115044441) is 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CC1(c2nnc(CCCN)s2)CCCCO1.
What is the InChIKey of 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is DHJMEUVUDIEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(6-2-3-8-15-11)10-14-13-9(16-10)5-4-7-12/h2-8,12H2,1H3.
What are the key properties of 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 115044441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).