2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide

C15H22N4OS — CID 53163361

IUPAC2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
SMILESCCc1nn2c(CNC(=O)CC3CCCC3)c(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-14-18-19-12(10(2)17-15(19)21-14)9-16-13(20)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,16,20)
InChIKeyKHMXOUYBCUYZAT-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.86
Rot. Bonds5

About 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide

2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide (PubChem CID 53163361) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
PubChem CID53163361
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
SMILESCCc1nn2c(CNC(=O)CC3CCCC3)c(C)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-14-18-19-12(10(2)17-15(19)21-14)9-16-13(20)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,16,20)
InChIKeyKHMXOUYBCUYZAT-UHFFFAOYSA-N
XLogP2.86
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide (CID 53163361) is 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide is CCc1nn2c(CNC(=O)CC3CCCC3)c(C)nc2s1.
What is the InChIKey of 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The InChIKey is KHMXOUYBCUYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-14-18-19-12(10(2)17-15(19)21-14)9-16-13(20)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 53163361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).