6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C16H16N2O3S — CID 92914171

IUPAC6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C16H16N2O3S/c1-3-4-13-14(15(19)20)22-16-17-12(9-18(13)16)10-5-7-11(21-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyBLWPTJRVISGORK-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.72
Rot. Bonds5

About 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 92914171) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID92914171
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C16H16N2O3S/c1-3-4-13-14(15(19)20)22-16-17-12(9-18(13)16)10-5-7-11(21-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyBLWPTJRVISGORK-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035531
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-[4-(2-methylprop-2-enoxy)phenyl]-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035880

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 92914171) is 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3ccc(OC)cc3)cn12.
What is the InChIKey of 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is BLWPTJRVISGORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-4-13-14(15(19)20)22-16-17-12(9-18(13)16)10-5-7-11(21-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 92914171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).