5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2S — CID 107153676

IUPAC5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCC(CC(C)C)S1
InChIInChI=1S/C12H24N2S/c1-5-10(6-2)14-12-13-8-11(15-12)7-9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyKBFOLFRHTJTQKJ-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds5

About 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153676) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153676
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCC(CC(C)C)S1
InChIInChI=1S/C12H24N2S/c1-5-10(6-2)14-12-13-8-11(15-12)7-9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyKBFOLFRHTJTQKJ-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-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 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107153676) is 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=NCC(CC(C)C)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KBFOLFRHTJTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-10(6-2)14-12-13-8-11(15-12)7-9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).