N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C12H8F2N4OS — CID 110865316

IUPACN-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3c(F)cccc3F)nc2s1
InChIInChI=1S/C12H8F2N4OS/c1-6-17-18-5-9(15-12(18)20-6)11(19)16-10-7(13)3-2-4-8(10)14/h2-5H,1H3,(H,16,19)
InChIKeyLAIKJKHLXLMIFM-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.63
Rot. Bonds2

About N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110865316) has the molecular formula C12H8F2N4OS and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110865316
Molecular FormulaC12H8F2N4OS
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC NameN-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3c(F)cccc3F)nc2s1
InChIInChI=1S/C12H8F2N4OS/c1-6-17-18-5-9(15-12(18)20-6)11(19)16-10-7(13)3-2-4-8(10)14/h2-5H,1H3,(H,16,19)
InChIKeyLAIKJKHLXLMIFM-UHFFFAOYSA-N
XLogP2.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588
N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864252
2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 96590591
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705395
N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857587
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
6-[(2-bromo-6-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602500

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110865316) is N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1nn2cc(C(=O)Nc3c(F)cccc3F)nc2s1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is LAIKJKHLXLMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4OS/c1-6-17-18-5-9(15-12(18)20-6)11(19)16-10-7(13)3-2-4-8(10)14/h2-5H,1H3,(H,16,19).
What are the key properties of N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 294.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110865316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).