2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole

C13H21N3S — CID 97396857

IUPAC2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
SMILESCN1CCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3S/c1-15-7-2-3-13(15)4-8-16(9-5-13)11-12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeySHKMMNNLNOTBEL-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.20
Rot. Bonds2

About 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole

2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole (PubChem CID 97396857) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
PubChem CID97396857
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
SMILESCN1CCCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3S/c1-15-7-2-3-13(15)4-8-16(9-5-13)11-12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeySHKMMNNLNOTBEL-UHFFFAOYSA-N
XLogP2.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole 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

2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
CID 103993865
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681081
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
2-methyl-1-[7-(1,3-thiazol-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155854026
4-(1,3-thiazol-2-ylmethyl)-1,4-thiazepane
CID 84592058
2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 3861631
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
1-methyl-4-(pyridin-4-ylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398782
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole (CID 97396857) is 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole is CN1CCCC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
The InChIKey is SHKMMNNLNOTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-15-7-2-3-13(15)4-8-16(9-5-13)11-12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3.
What are the key properties of 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole?
2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 97396857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).