N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide

C22H20FN3O3S — CID 71795849

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H20FN3O3S/c1-13-19(11-24-21(27)20-17(28-2)5-4-6-18(20)29-3)30-22-25-16(12-26(13)22)14-7-9-15(23)10-8-14/h4-10,12H,11H2,1-3H3,(H,24,27)
InChIKeyJPDKHDUVCGTEQD-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.46
Rot. Bonds6

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 71795849) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID71795849
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H20FN3O3S/c1-13-19(11-24-21(27)20-17(28-2)5-4-6-18(20)29-3)30-22-25-16(12-26(13)22)14-7-9-15(23)10-8-14/h4-10,12H,11H2,1-3H3,(H,24,27)
InChIKeyJPDKHDUVCGTEQD-UHFFFAOYSA-N
XLogP4.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide
CID 752438
(E)-3-[6-(4-fluorophenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353352
6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572707
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
5-chloro-2-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 5310155
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 5310418
(4-(4-Fluorophenyl)piperazin-1-yl)(6-(4-methoxyphenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methanone
CID 5310545
1-(2-Fluorophenyl)-4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-B][1,3]thiazole-2-carbonyl]piperazine
CID 5310585
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,5-dimethoxybenzamide
CID 7151228
2,3-dimethoxy-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151271
2-(4-fluorophenyl)-N-(2-methoxybenzyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018574

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide (CID 71795849) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is JPDKHDUVCGTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-13-19(11-24-21(27)20-17(28-2)5-4-6-18(20)29-3)30-22-25-16(12-26(13)22)14-7-9-15(23)10-8-14/h4-10,12H,11H2,1-3H3,(H,24,27).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 425.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 71795849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).