4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide

C17H17F2N3O3S2 — CID 112803432

IUPAC4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c(C)nc2s1
InChIInChI=1S/C17H17F2N3O3S2/c1-10-8-22-14(11(2)20-17(22)26-10)9-21(3)15(23)12-4-6-13(7-5-12)27(24,25)16(18)19/h4-8,16H,9H2,1-3H3
InChIKeyOUPNQLHJWWYKKP-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.28
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide

4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide (PubChem CID 112803432) has the molecular formula C17H17F2N3O3S2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
PubChem CID112803432
Molecular FormulaC17H17F2N3O3S2
Molecular Weight413.47 g/mol
Exact Mass413.07
IUPAC Name4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c(C)nc2s1
InChIInChI=1S/C17H17F2N3O3S2/c1-10-8-22-14(11(2)20-17(22)26-10)9-21(3)15(23)12-4-6-13(7-5-12)27(24,25)16(18)19/h4-8,16H,9H2,1-3H3
InChIKeyOUPNQLHJWWYKKP-UHFFFAOYSA-N
XLogP3.28
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide (CID 112803432) is 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide is Cc1cn2c(CN(C)C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c(C)nc2s1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide?
The InChIKey is OUPNQLHJWWYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S2/c1-10-8-22-14(11(2)20-17(22)26-10)9-21(3)15(23)12-4-6-13(7-5-12)27(24,25)16(18)19/h4-8,16H,9H2,1-3H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide?
4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 112803432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).