N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine

C9H17N3S — CID 65280664

IUPACN,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCNC(Cc1ncns1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-9(2,3)7(10-4)5-8-11-6-12-13-8/h6-7,10H,5H2,1-4H3
InChIKeySPLMGGSXKMADQZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.71
Rot. Bonds3

About N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine

N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280664) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280664
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCNC(Cc1ncns1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-9(2,3)7(10-4)5-8-11-6-12-13-8/h6-7,10H,5H2,1-4H3
InChIKeySPLMGGSXKMADQZ-UHFFFAOYSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280664) is N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine is CNC(Cc1ncns1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is SPLMGGSXKMADQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-9(2,3)7(10-4)5-8-11-6-12-13-8/h6-7,10H,5H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65280664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).