2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C22H23FN4OS2 — CID 71906405

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1cn2c(CN(C)CC(=O)NC(c3ccc(F)cc3)c3cccs3)c(C)nc2s1
InChIInChI=1S/C22H23FN4OS2/c1-14-11-27-18(15(2)24-22(27)30-14)12-26(3)13-20(28)25-21(19-5-4-10-29-19)16-6-8-17(23)9-7-16/h4-11,21H,12-13H2,1-3H3,(H,25,28)
InChIKeyPSVBGEHDTFLSTO-UHFFFAOYSA-N
MW442.59 g/mol
LogP4.55
Rot. Bonds7

About 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 71906405) has the molecular formula C22H23FN4OS2 and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID71906405
Molecular FormulaC22H23FN4OS2
Molecular Weight442.59 g/mol
Exact Mass442.13
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1cn2c(CN(C)CC(=O)NC(c3ccc(F)cc3)c3cccs3)c(C)nc2s1
InChIInChI=1S/C22H23FN4OS2/c1-14-11-27-18(15(2)24-22(27)30-14)12-26(3)13-20(28)25-21(19-5-4-10-29-19)16-6-8-17(23)9-7-16/h4-11,21H,12-13H2,1-3H3,(H,25,28)
InChIKeyPSVBGEHDTFLSTO-UHFFFAOYSA-N
XLogP4.55
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 71906405) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is Cc1cn2c(CN(C)CC(=O)NC(c3ccc(F)cc3)c3cccs3)c(C)nc2s1.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is PSVBGEHDTFLSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS2/c1-14-11-27-18(15(2)24-22(27)30-14)12-26(3)13-20(28)25-21(19-5-4-10-29-19)16-6-8-17(23)9-7-16/h4-11,21H,12-13H2,1-3H3,(H,25,28).
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 442.59 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 71906405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).