N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine

C9H14N2S — CID 115691974

IUPACN-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
SMILESC=CC(C)Nc1nc(CC)cs1
InChIInChI=1S/C9H14N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyJOBKLKVYQMQSHM-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.69
Rot. Bonds4

About N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine

N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine (PubChem CID 115691974) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
PubChem CID115691974
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
SMILESC=CC(C)Nc1nc(CC)cs1
InChIInChI=1S/C9H14N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyJOBKLKVYQMQSHM-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-but-3-en-2-yl-4-ethyl-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 N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine (CID 115691974) is N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine is C=CC(C)Nc1nc(CC)cs1.
What is the InChIKey of N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is JOBKLKVYQMQSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h4,6-7H,1,5H2,2-3H3,(H,10,11).
What are the key properties of N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine?
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115691974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).