3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

C15H18Cl2N2OS — CID 3067941

IUPAC3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15;/h4-5,9-10H,2-3,6-8H2,1H3;1H
InChIKeyLZYLLUJDAFCHTL-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.66
Rot. Bonds5

About 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 3067941) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID3067941
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15;/h4-5,9-10H,2-3,6-8H2,1H3;1H
InChIKeyLZYLLUJDAFCHTL-UHFFFAOYSA-N
XLogP4.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.66
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-(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
6-(3-Chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
CID 8891626

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 3067941) is 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is CCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl.
What is the InChIKey of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is LZYLLUJDAFCHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS.ClH/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15;/h4-5,9-10H,2-3,6-8H2,1H3;1H.
What are the key properties of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 345.30 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 3067941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).