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

C14H16Cl2N2OS — CID 3067940

IUPAC3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C14H15ClN2OS.ClH/c1-2-7-18-13-4-3-10(8-11(13)15)12-9-19-14-16-5-6-17(12)14;/h3-4,8-9H,2,5-7H2,1H3;1H
InChIKeyOKKJHYRIVFCQPI-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.27
Rot. Bonds4

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

3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 3067940) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID3067940
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C14H15ClN2OS.ClH/c1-2-7-18-13-4-3-10(8-11(13)15)12-9-19-14-16-5-6-17(12)14;/h3-4,8-9H,2,5-7H2,1H3;1H
InChIKeyOKKJHYRIVFCQPI-UHFFFAOYSA-N
XLogP4.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.27
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-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-(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
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-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 3067940) is 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is CCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl.
What is the InChIKey of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is OKKJHYRIVFCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS.ClH/c1-2-7-18-13-4-3-10(8-11(13)15)12-9-19-14-16-5-6-17(12)14;/h3-4,8-9H,2,5-7H2,1H3;1H.
What are the key properties of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 331.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 3067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).