[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C15H24N4OS — CID 56887632

IUPAC[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)cs1
InChIInChI=1S/C15H24N4OS/c1-11-17-14(10-21-11)9-18-4-6-19(7-5-18)15(20)12-2-3-13(16)8-12/h10,12-13H,2-9,16H2,1H3/t12-,13+/m0/s1
InChIKeyPYTPLTQKNPULLY-QWHCGFSZSA-N
MW308.45 g/mol
LogP1.22
Rot. Bonds3

About [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 56887632) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID56887632
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)cs1
InChIInChI=1S/C15H24N4OS/c1-11-17-14(10-21-11)9-18-4-6-19(7-5-18)15(20)12-2-3-13(16)8-12/h10,12-13H,2-9,16H2,1H3/t12-,13+/m0/s1
InChIKeyPYTPLTQKNPULLY-QWHCGFSZSA-N
XLogP1.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 56887632) is [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)cs1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PYTPLTQKNPULLY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11-17-14(10-21-11)9-18-4-6-19(7-5-18)15(20)12-2-3-13(16)8-12/h10,12-13H,2-9,16H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
[(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).