5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine

C13H21N3S — CID 120902228

IUPAC5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCC2(CCN(Cc3cnc(N)s3)C2)C1
InChIInChI=1S/C13H21N3S/c1-10-2-3-13(6-10)4-5-16(9-13)8-11-7-15-12(14)17-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15)
InChIKeyHGXZGTWXBORIOT-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.74
Rot. Bonds2

About 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine

5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902228) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902228
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCC2(CCN(Cc3cnc(N)s3)C2)C1
InChIInChI=1S/C13H21N3S/c1-10-2-3-13(6-10)4-5-16(9-13)8-11-7-15-12(14)17-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15)
InChIKeyHGXZGTWXBORIOT-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903924
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120903266
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903265
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 120902084
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120905195

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine (CID 120902228) is 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine is CC1CCC2(CCN(Cc3cnc(N)s3)C2)C1.
What is the InChIKey of 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HGXZGTWXBORIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-2-3-13(6-10)4-5-16(9-13)8-11-7-15-12(14)17-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15).
What are the key properties of 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).