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

C14H14N4OS — CID 110857588

IUPACN-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3c(C)cccc3C)nc2s1
InChIInChI=1S/C14H14N4OS/c1-8-5-4-6-9(2)12(8)16-13(19)11-7-18-14(15-11)20-10(3)17-18/h4-7H,1-3H3,(H,16,19)
InChIKeyRRHXVDPWLTXQEI-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.97
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110857588) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110857588
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3c(C)cccc3C)nc2s1
InChIInChI=1S/C14H14N4OS/c1-8-5-4-6-9(2)12(8)16-13(19)11-7-18-14(15-11)20-10(3)17-18/h4-7H,1-3H3,(H,16,19)
InChIKeyRRHXVDPWLTXQEI-UHFFFAOYSA-N
XLogP2.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110865316
N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857587
N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 96590591
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110857591
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663
N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576927
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110857588) is N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1nn2cc(C(=O)Nc3c(C)cccc3C)nc2s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is RRHXVDPWLTXQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-5-4-6-9(2)12(8)16-13(19)11-7-18-14(15-11)20-10(3)17-18/h4-7H,1-3H3,(H,16,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110857588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).