3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C13H13ClN2OS — CID 715067

IUPAC3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-17-12-4-3-9(7-10(12)14)11-8-18-13-15-5-6-16(11)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyGWHFZHRUNDBQKU-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.46
Rot. Bonds3

About 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 715067) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID715067
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-17-12-4-3-9(7-10(12)14)11-8-18-13-15-5-6-16(11)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyGWHFZHRUNDBQKU-UHFFFAOYSA-N
XLogP3.46
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-propoxyphenyl)-, monohydrochloride
CID 3076280
3-(3-Chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 720498
3-(4-Ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 686784
3-(3-Chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2041467
3-(4-Methoxy-phenyl)-5,6-dihydro-imidazo(2,1-B)thiazole, hydrobromide
CID 15563881
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-(pentyloxy)phenyl)-, monohydrochloride
CID 3074652
3-(4-Propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2843820
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-propoxyphenyl)-, monohydrochloride
CID 3067940
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-butoxy-3-chlorophenyl)-, monohydrochloride
CID 3067941
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-(hexyloxy)phenyl)-, monohydrochloride
CID 3074654
3-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 683044
N-[(2E)-4-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2(3H)-ylidene]ethanamine
CID 671966

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 715067) is 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCOc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GWHFZHRUNDBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-17-12-4-3-9(7-10(12)14)11-8-18-13-15-5-6-16(11)13/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 280.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 715067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).