N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide

C12H16N4OS — CID 53163009

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide
SMILESCc1nn2c(CNC(=O)C3CCC3)c(C)nc2s1
InChIInChI=1S/C12H16N4OS/c1-7-10(6-13-11(17)9-4-3-5-9)16-12(14-7)18-8(2)15-16/h9H,3-6H2,1-2H3,(H,13,17)
InChIKeyQIWPVNURIPWCGV-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.82
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide (PubChem CID 53163009) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide
PubChem CID53163009
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide
SMILESCc1nn2c(CNC(=O)C3CCC3)c(C)nc2s1
InChIInChI=1S/C12H16N4OS/c1-7-10(6-13-11(17)9-4-3-5-9)16-12(14-7)18-8(2)15-16/h9H,3-6H2,1-2H3,(H,13,17)
InChIKeyQIWPVNURIPWCGV-UHFFFAOYSA-N
XLogP1.82
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 53162999
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163361
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53163272
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 53163050
2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
CID 146145149
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-propylbenzenesulfonamide
CID 53163253

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide (CID 53163009) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide is Cc1nn2c(CNC(=O)C3CCC3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide?
The InChIKey is QIWPVNURIPWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-10(6-13-11(17)9-4-3-5-9)16-12(14-7)18-8(2)15-16/h9H,3-6H2,1-2H3,(H,13,17).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53163009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).