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

C11H19N3OS — CID 103889222

IUPACN-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CC(Nc2nc(C(C)C)ns2)CCO1
InChIInChI=1S/C11H19N3OS/c1-7(2)10-13-11(16-14-10)12-9-4-5-15-8(3)6-9/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyTYPBUSGVHBVPBP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.64
Rot. Bonds3

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

N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 103889222) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID103889222
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CC(Nc2nc(C(C)C)ns2)CCO1
InChIInChI=1S/C11H19N3OS/c1-7(2)10-13-11(16-14-10)12-9-4-5-15-8(3)6-9/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyTYPBUSGVHBVPBP-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 103889222) is N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC1CC(Nc2nc(C(C)C)ns2)CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is TYPBUSGVHBVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)10-13-11(16-14-10)12-9-4-5-15-8(3)6-9/h7-9H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).