N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C21H31N5S — CID 120845362

IUPACN-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCC(C)N(C)c1ccc(CN(Cc2nccs2)C2CC23CCNCC3)cn1
InChIInChI=1S/C21H31N5S/c1-16(2)25(3)19-5-4-17(13-24-19)14-26(15-20-23-10-11-27-20)18-12-21(18)6-8-22-9-7-21/h4-5,10-11,13,16,18,22H,6-9,12,14-15H2,1-3H3
InChIKeyNGAQSZPAGGVRLC-UHFFFAOYSA-N
MW385.58 g/mol
LogP3.53
Rot. Bonds7

About N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845362) has the molecular formula C21H31N5S and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID120845362
Molecular FormulaC21H31N5S
Molecular Weight385.58 g/mol
Exact Mass385.23
IUPAC NameN-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCC(C)N(C)c1ccc(CN(Cc2nccs2)C2CC23CCNCC3)cn1
InChIInChI=1S/C21H31N5S/c1-16(2)25(3)19-5-4-17(13-24-19)14-26(15-20-23-10-11-27-20)18-12-21(18)6-8-22-9-7-21/h4-5,10-11,13,16,18,22H,6-9,12,14-15H2,1-3H3
InChIKeyNGAQSZPAGGVRLC-UHFFFAOYSA-N
XLogP3.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide
CID 129466123
N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845363
(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
(2S)-N-[(3-chloro-4-pyridinyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129466040
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-[(3-methylcyclohexyl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845329
N-[(1-tert-butyltriazol-4-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845379
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
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-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 120967105
2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 129465864

Frequently Asked Questions

What is the IUPAC name of N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of 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) is N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is CC(C)N(C)c1ccc(CN(Cc2nccs2)C2CC23CCNCC3)cn1.
What is the InChIKey of N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is NGAQSZPAGGVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5S/c1-16(2)25(3)19-5-4-17(13-24-19)14-26(15-20-23-10-11-27-20)18-12-21(18)6-8-22-9-7-21/h4-5,10-11,13,16,18,22H,6-9,12,14-15H2,1-3H3.
What are the key properties of N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 385.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).