(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine

C9H17N3S — CID 147214134

IUPAC(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine
SMILESCCc1nnc(C[C@@H](N)C(C)C)s1
InChIInChI=1S/C9H17N3S/c1-4-8-11-12-9(13-8)5-7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m1/s1
InChIKeyCFTVTRFPQDUJSW-SSDOTTSWSA-N
MW199.32 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine

(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine (PubChem CID 147214134) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine
PubChem CID147214134
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine
SMILESCCc1nnc(C[C@@H](N)C(C)C)s1
InChIInChI=1S/C9H17N3S/c1-4-8-11-12-9(13-8)5-7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m1/s1
InChIKeyCFTVTRFPQDUJSW-SSDOTTSWSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-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 (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine (CID 147214134) is (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine is CCc1nnc(C[C@@H](N)C(C)C)s1.
What is the InChIKey of (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine?
The InChIKey is CFTVTRFPQDUJSW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-8-11-12-9(13-8)5-7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine?
(2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 147214134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).