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

C11H21N3S — CID 65277218

IUPACN-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(Nc1nc(C(C)C)ns1)C(C)C
InChIInChI=1S/C11H21N3S/c1-6-9(7(2)3)12-11-13-10(8(4)5)14-15-11/h7-9H,6H2,1-5H3,(H,12,13,14)
InChIKeyBSFHMWORKNQYAY-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.51
Rot. Bonds5

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

N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277218) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277218
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(Nc1nc(C(C)C)ns1)C(C)C
InChIInChI=1S/C11H21N3S/c1-6-9(7(2)3)12-11-13-10(8(4)5)14-15-11/h7-9H,6H2,1-5H3,(H,12,13,14)
InChIKeyBSFHMWORKNQYAY-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65277218) is N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCC(Nc1nc(C(C)C)ns1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BSFHMWORKNQYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-6-9(7(2)3)12-11-13-10(8(4)5)14-15-11/h7-9H,6H2,1-5H3,(H,12,13,14).
What are the key properties of N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).