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

C12H11ClN2OS — CID 720498

IUPAC3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyKTZHDOBEYCEISF-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.07
Rot. Bonds2

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

3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 720498) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID720498
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyKTZHDOBEYCEISF-UHFFFAOYSA-N
XLogP3.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.07
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-(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
3-(4-Methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 16237819
4-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-fluorophenyl methyl ether hydrobromide
CID 2858220
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 720498) is 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is KTZHDOBEYCEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 266.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 720498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).