3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine

C14H21N3S — CID 134232435

IUPAC3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine
SMILESC=CCC(CC)C(C)NCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3S/c1-4-6-12(5-2)11(3)15-9-13-10-17-7-8-18-14(17)16-13/h4,7-8,10-12,15H,1,5-6,9H2,2-3H3
InChIKeyCACPGXCLNJTYGC-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.48
Rot. Bonds7

About 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine

3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine (PubChem CID 134232435) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine
PubChem CID134232435
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine
SMILESC=CCC(CC)C(C)NCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3S/c1-4-6-12(5-2)11(3)15-9-13-10-17-7-8-18-14(17)16-13/h4,7-8,10-12,15H,1,5-6,9H2,2-3H3
InChIKeyCACPGXCLNJTYGC-UHFFFAOYSA-N
XLogP3.48
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine?
The IUPAC name of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine (CID 134232435) is 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine is C=CCC(CC)C(C)NCc1cn2ccsc2n1.
What is the InChIKey of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine?
The InChIKey is CACPGXCLNJTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-6-12(5-2)11(3)15-9-13-10-17-7-8-18-14(17)16-13/h4,7-8,10-12,15H,1,5-6,9H2,2-3H3.
What are the key properties of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine?
3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 134232435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).