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

C14H15ClN2OS — CID 2041467

IUPAC3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C14H15ClN2OS/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
InChIKeyVWJJDNBPVIMITE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.85
Rot. Bonds4

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

3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 2041467) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID2041467
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C14H15ClN2OS/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
InChIKeyVWJJDNBPVIMITE-UHFFFAOYSA-N
XLogP3.85
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 2041467) is 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is VWJJDNBPVIMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/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.
What are the key properties of 3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 294.81 g/mol, XLogP of 3.85, 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 is sourced from PubChem (CID 2041467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).