N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine

C7H13N3S — CID 79501466

IUPACN-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnsn1
InChIInChI=1S/C7H13N3S/c1-3-6(2)8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyRTDAUGDKFCIJFW-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.43
Rot. Bonds4

About N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine

N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine (PubChem CID 79501466) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine
PubChem CID79501466
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnsn1
InChIInChI=1S/C7H13N3S/c1-3-6(2)8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyRTDAUGDKFCIJFW-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2,5-thiadiazol-3-ylmethyl)butan-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 N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine (CID 79501466) is N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine is CCC(C)NCc1cnsn1.
What is the InChIKey of N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine?
The InChIKey is RTDAUGDKFCIJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6(2)8-4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine?
N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,5-thiadiazol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 79501466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).