cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone

C16H27N5OS — CID 84585889

IUPACcyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCc1nsc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5OS/c1-2-14-18-16(23-19-14)17-7-8-20-9-11-21(12-10-20)15(22)13-5-3-4-6-13/h13H,2-12H2,1H3,(H,17,18,19)
InChIKeyBPXJEWPOTOCUJM-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.85
Rot. Bonds6

About cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone (PubChem CID 84585889) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
PubChem CID84585889
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Namecyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCc1nsc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5OS/c1-2-14-18-16(23-19-14)17-7-8-20-9-11-21(12-10-20)15(22)13-5-3-4-6-13/h13H,2-12H2,1H3,(H,17,18,19)
InChIKeyBPXJEWPOTOCUJM-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
6-Cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 126797900
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 128850107
(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
CID 164641516
2,2,2-Trifluoro-1-[4-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429704
1-[4-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429708
2,2,2-Trifluoro-1-[4-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133485949
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648179
N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide
CID 175648272

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone (CID 84585889) is cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone is CCc1nsc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone?
The InChIKey is BPXJEWPOTOCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-2-14-18-16(23-19-14)17-7-8-20-9-11-21(12-10-20)15(22)13-5-3-4-6-13/h13H,2-12H2,1H3,(H,17,18,19).
What are the key properties of cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone has a molecular weight of 337.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84585889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).