3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine

C13H13N3S — CID 82478196

IUPAC3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCc1ccc(-c2csc3nc(N)cn23)cc1
InChIInChI=1S/C13H13N3S/c1-2-9-3-5-10(6-4-9)11-8-17-13-15-12(14)7-16(11)13/h3-8H,2,14H2,1H3
InChIKeyMQGZNQBCPPUAPZ-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.21
Rot. Bonds2

About 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine

3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 82478196) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID82478196
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCc1ccc(-c2csc3nc(N)cn23)cc1
InChIInChI=1S/C13H13N3S/c1-2-9-3-5-10(6-4-9)11-8-17-13-15-12(14)7-16(11)13/h3-8H,2,14H2,1H3
InChIKeyMQGZNQBCPPUAPZ-UHFFFAOYSA-N
XLogP3.21
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 82478196) is 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCc1ccc(-c2csc3nc(N)cn23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is MQGZNQBCPPUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-9-3-5-10(6-4-9)11-8-17-13-15-12(14)7-16(11)13/h3-8H,2,14H2,1H3.
What are the key properties of 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 243.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 82478196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).