N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C14H14F2N4O2S2 — CID 53152145

IUPACN-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)Nc3cc(F)ccc3F)c(C(C)C)nc2s1
InChIInChI=1S/C14H14F2N4O2S2/c1-7(2)12-13(20-14(17-12)23-8(3)18-20)24(21,22)19-11-6-9(15)4-5-10(11)16/h4-7,19H,1-3H3
InChIKeyLGDFYXCINOQVHD-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.30
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152145) has the molecular formula C14H14F2N4O2S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152145
Molecular FormulaC14H14F2N4O2S2
Molecular Weight372.42 g/mol
Exact Mass372.05
IUPAC NameN-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)Nc3cc(F)ccc3F)c(C(C)C)nc2s1
InChIInChI=1S/C14H14F2N4O2S2/c1-7(2)12-13(20-14(17-12)23-8(3)18-20)24(21,22)19-11-6-9(15)4-5-10(11)16/h4-7,19H,1-3H3
InChIKeyLGDFYXCINOQVHD-UHFFFAOYSA-N
XLogP3.30
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152145) is N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1nn2c(S(=O)(=O)Nc3cc(F)ccc3F)c(C(C)C)nc2s1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is LGDFYXCINOQVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2S2/c1-7(2)12-13(20-14(17-12)23-8(3)18-20)24(21,22)19-11-6-9(15)4-5-10(11)16/h4-7,19H,1-3H3.
What are the key properties of N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 372.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).