N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

C16H25N5OS — CID 75377037

IUPACN-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(c2nc(C3CC3)ns2)CC1)C1CCC1
InChIInChI=1S/C16H25N5OS/c22-15(13-2-1-3-13)17-6-7-20-8-10-21(11-9-20)16-18-14(19-23-16)12-4-5-12/h12-13H,1-11H2,(H,17,22)
InChIKeyZZYNQKOQNZTGDD-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.45
Rot. Bonds6

About N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 75377037) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID75377037
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC NameN-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(c2nc(C3CC3)ns2)CC1)C1CCC1
InChIInChI=1S/C16H25N5OS/c22-15(13-2-1-3-13)17-6-7-20-8-10-21(11-9-20)16-18-14(19-23-16)12-4-5-12/h12-13H,1-11H2,(H,17,22)
InChIKeyZZYNQKOQNZTGDD-UHFFFAOYSA-N
XLogP1.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(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
N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 107305337
1-[4-[[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429696
N-{[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl}acetamide
CID 165432047
N-{[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165432077
N-{[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl}cyclopropanecarboxamide
CID 165432230
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648179

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 75377037) is N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is O=C(NCCN1CCN(c2nc(C3CC3)ns2)CC1)C1CCC1.
What is the InChIKey of N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is ZZYNQKOQNZTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c22-15(13-2-1-3-13)17-6-7-20-8-10-21(11-9-20)16-18-14(19-23-16)12-4-5-12/h12-13H,1-11H2,(H,17,22).
What are the key properties of N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 335.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 75377037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).