4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide

C15H13F2N3O3S — CID 52563386

IUPAC4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cn3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C15H13F2N3O3S/c1-22-12-6-9(2-3-11(12)23-14(16)17)13(21)18-7-10-8-20-4-5-24-15(20)19-10/h2-6,8,14H,7H2,1H3,(H,18,21)
InChIKeyIVDNESHJKFHPMV-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.94
Rot. Bonds6

About 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide (PubChem CID 52563386) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
PubChem CID52563386
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cn3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C15H13F2N3O3S/c1-22-12-6-9(2-3-11(12)23-14(16)17)13(21)18-7-10-8-20-4-5-24-15(20)19-10/h2-6,8,14H,7H2,1H3,(H,18,21)
InChIKeyIVDNESHJKFHPMV-UHFFFAOYSA-N
XLogP2.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
CID 25274455
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55561095
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 32773874
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide (CID 52563386) is 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide is COc1cc(C(=O)NCc2cn3ccsc3n2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The InChIKey is IVDNESHJKFHPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-22-12-6-9(2-3-11(12)23-14(16)17)13(21)18-7-10-8-20-4-5-24-15(20)19-10/h2-6,8,14H,7H2,1H3,(H,18,21).
What are the key properties of 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide has a molecular weight of 353.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 52563386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).