N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide

C11H14F2N4O2S2 — CID 86816372

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCc1nc(CS(=O)(=O)N(C)Cc2nccn2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O2S2/c1-8-15-9(6-20-8)7-21(18,19)16(2)5-10-14-3-4-17(10)11(12)13/h3-4,6,11H,5,7H2,1-2H3
InChIKeyHBLZQAIHNGSYHB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.00
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 86816372) has the molecular formula C11H14F2N4O2S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
PubChem CID86816372
Molecular FormulaC11H14F2N4O2S2
Molecular Weight336.39 g/mol
Exact Mass336.05
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCc1nc(CS(=O)(=O)N(C)Cc2nccn2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O2S2/c1-8-15-9(6-20-8)7-21(18,19)16(2)5-10-14-3-4-17(10)11(12)13/h3-4,6,11H,5,7H2,1-2H3
InChIKeyHBLZQAIHNGSYHB-UHFFFAOYSA-N
XLogP2.00
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (CID 86816372) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide is Cc1nc(CS(=O)(=O)N(C)Cc2nccn2C(F)F)cs1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is HBLZQAIHNGSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2S2/c1-8-15-9(6-20-8)7-21(18,19)16(2)5-10-14-3-4-17(10)11(12)13/h3-4,6,11H,5,7H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 86816372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).