3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride

C15H17ClN2O3S — CID 23724188

IUPAC3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(C2=C(CCC(=O)O)SC3=NCCN32)cc1.Cl
InChIInChI=1S/C15H16N2O3S.ClH/c1-20-11-4-2-10(3-5-11)14-12(6-7-13(18)19)21-15-16-8-9-17(14)15;/h2-5H,6-9H2,1H3,(H,18,19);1H
InChIKeyGADUPNUZCLYLTO-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.07
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride

3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride (PubChem CID 23724188) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride
PubChem CID23724188
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(C2=C(CCC(=O)O)SC3=NCCN32)cc1.Cl
InChIInChI=1S/C15H16N2O3S.ClH/c1-20-11-4-2-10(3-5-11)14-12(6-7-13(18)19)21-15-16-8-9-17(14)15;/h2-5H,6-9H2,1H3,(H,18,19);1H
InChIKeyGADUPNUZCLYLTO-UHFFFAOYSA-N
XLogP3.07
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(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
3-(4-Propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2843820
3-(3-Fluoro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 685381
3-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 683044
3-(4-Methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 911881
3-[3-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid
CID 3277344
5-[(2E,4Z)-6-chloro-1-fluorohepta-2,4,6-trien-3-yl]-6-(4-methoxyphenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 88227480
3-(3-Fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 46738432

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride (CID 23724188) is 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride is COc1ccc(C2=C(CCC(=O)O)SC3=NCCN32)cc1.Cl.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride?
The InChIKey is GADUPNUZCLYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S.ClH/c1-20-11-4-2-10(3-5-11)14-12(6-7-13(18)19)21-15-16-8-9-17(14)15;/h2-5H,6-9H2,1H3,(H,18,19);1H.
What are the key properties of 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride?
3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 23724188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).