[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C14H23N5OS — CID 124684780

IUPAC[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-8-6-18(7-9-19)13(20)10-4-3-5-11(10)15/h10-11H,2-9,15H2,1H3/t10-,11+/m1/s1
InChIKeyNTKINNUHEQGRSO-MNOVXSKESA-N
MW309.44 g/mol
LogP0.88
Rot. Bonds3

About [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 124684780) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID124684780
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-8-6-18(7-9-19)13(20)10-4-3-5-11(10)15/h10-11H,2-9,15H2,1H3/t10-,11+/m1/s1
InChIKeyNTKINNUHEQGRSO-MNOVXSKESA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.88
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
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 128850107
Cyclohexyl-[4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone
CID 71861555
(S)-1-(1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
CID 90388881
3-(Methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388882
(S)-3-amino-1-(1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)pyrrolidin-2-one
CID 90388938
3-Amino-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388939
N-(2-aminoethyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 65273386
5-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274097
N-(2-aminoethyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 65275568

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 124684780) is [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is CCc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)n1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is NTKINNUHEQGRSO-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-8-6-18(7-9-19)13(20)10-4-3-5-11(10)15/h10-11H,2-9,15H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 309.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 124684780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).