N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine

C22H32N4S — CID 28980054

IUPACN,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN2CCC[C@]3(CCN(Cc4cnc(N(C)C)s4)C3)C2)c1
InChIInChI=1S/C22H32N4S/c1-18-6-4-7-19(12-18)14-25-10-5-8-22(16-25)9-11-26(17-22)15-20-13-23-21(27-20)24(2)3/h4,6-7,12-13H,5,8-11,14-17H2,1-3H3/t22-/m0/s1
InChIKeyJCBSWKBOEUAZEI-QFIPXVFZSA-N
MW384.59 g/mol
LogP4.01
Rot. Bonds5

About N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 28980054) has the molecular formula C22H32N4S and a molecular weight of 384.59 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
PubChem CID28980054
Molecular FormulaC22H32N4S
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC NameN,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN2CCC[C@]3(CCN(Cc4cnc(N(C)C)s4)C3)C2)c1
InChIInChI=1S/C22H32N4S/c1-18-6-4-7-19(12-18)14-25-10-5-8-22(16-25)9-11-26(17-22)15-20-13-23-21(27-20)24(2)3/h4,6-7,12-13H,5,8-11,14-17H2,1-3H3/t22-/m0/s1
InChIKeyJCBSWKBOEUAZEI-QFIPXVFZSA-N
XLogP4.01
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45247545
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120903266
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903265
5-[[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 56715166
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126442354
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine (CID 28980054) is N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine is Cc1cccc(CN2CCC[C@]3(CCN(Cc4cnc(N(C)C)s4)C3)C2)c1.
What is the InChIKey of N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is JCBSWKBOEUAZEI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N4S/c1-18-6-4-7-19(12-18)14-25-10-5-8-22(16-25)9-11-26(17-22)15-20-13-23-21(27-20)24(2)3/h4,6-7,12-13H,5,8-11,14-17H2,1-3H3/t22-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 384.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28980054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).