2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

C19H30N4OS — CID 129465864

IUPAC2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(Cc2nccs2)[C@@H]2CC23CCNCC3)CC1
InChIInChI=1S/C19H30N4OS/c1-15-2-9-22(10-3-15)18(24)14-23(13-17-21-8-11-25-17)16-12-19(16)4-6-20-7-5-19/h8,11,15-16,20H,2-7,9-10,12-14H2,1H3/t16-/m1/s1
InChIKeyRBBHZKFYEUFFQF-MRXNPFEDSA-N
MW362.54 g/mol
LogP2.35
Rot. Bonds5

About 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 129465864) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID129465864
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(Cc2nccs2)[C@@H]2CC23CCNCC3)CC1
InChIInChI=1S/C19H30N4OS/c1-15-2-9-22(10-3-15)18(24)14-23(13-17-21-8-11-25-17)16-12-19(16)4-6-20-7-5-19/h8,11,15-16,20H,2-7,9-10,12-14H2,1H3/t16-/m1/s1
InChIKeyRBBHZKFYEUFFQF-MRXNPFEDSA-N
XLogP2.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone 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

N-[(3-methylcyclohexyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845329
4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide
CID 129466123
(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129325217
N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845331
(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129342859
N-[(1-tert-butyltriazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845379
(2S)-N-[(3-chloro-4-pyridinyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129466040
N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 120845362
N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845363
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 120967105
N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845399
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120967092

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 129465864) is 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(Cc2nccs2)[C@@H]2CC23CCNCC3)CC1.
What is the InChIKey of 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is RBBHZKFYEUFFQF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-15-2-9-22(10-3-15)18(24)14-23(13-17-21-8-11-25-17)16-12-19(16)4-6-20-7-5-19/h8,11,15-16,20H,2-7,9-10,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 362.54 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 129465864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).