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

C16H19ClN2OS — CID 3074653

IUPAC3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyGLTQBFUZBJKVGE-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.63
Rot. Bonds6

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

3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 3074653) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID3074653
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyGLTQBFUZBJKVGE-UHFFFAOYSA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-ethoxy-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
CID 715067
3-(3-Chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2041467
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-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 3074653) is 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GLTQBFUZBJKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 322.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3074653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).