N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C13H12N4OS — CID 110857504

IUPACN-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cn3ncsc3n2)c1
InChIInChI=1S/C13H12N4OS/c1-8-3-9(2)5-10(4-8)15-12(18)11-6-17-13(16-11)19-7-14-17/h3-7H,1-2H3,(H,15,18)
InChIKeyULCXSIPRQQKIOY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.66
Rot. Bonds2

About N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110857504) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110857504
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cn3ncsc3n2)c1
InChIInChI=1S/C13H12N4OS/c1-8-3-9(2)5-10(4-8)15-12(18)11-6-17-13(16-11)19-7-14-17/h3-7H,1-2H3,(H,15,18)
InChIKeyULCXSIPRQQKIOY-UHFFFAOYSA-N
XLogP2.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858720
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857587
N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864985
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864252
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110857431
N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110857504) is N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1cc(C)cc(NC(=O)c2cn3ncsc3n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is ULCXSIPRQQKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-3-9(2)5-10(4-8)15-12(18)11-6-17-13(16-11)19-7-14-17/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110857504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).