5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C19H27ClN4S — CID 120904553

IUPAC5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)s1
InChIInChI=1S/C19H26N4S.ClH/c20-18-21-12-17(24-18)14-22-9-6-19(7-10-22)8-11-23(15-19)13-16-4-2-1-3-5-16;/h1-5,12H,6-11,13-15H2,(H2,20,21);1H
InChIKeyRYPZAVACDFTXFK-UHFFFAOYSA-N
MW378.97 g/mol
LogP3.64
Rot. Bonds4

About 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904553) has the molecular formula C19H27ClN4S and a molecular weight of 378.97 g/mol. Its IUPAC name is 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904553
Molecular FormulaC19H27ClN4S
Molecular Weight378.97 g/mol
Exact Mass378.16
IUPAC Name5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)s1
InChIInChI=1S/C19H26N4S.ClH/c20-18-21-12-17(24-18)14-22-9-6-19(7-10-22)8-11-23(15-19)13-16-4-2-1-3-5-16;/h1-5,12H,6-11,13-15H2,(H2,20,21);1H
InChIKeyRYPZAVACDFTXFK-UHFFFAOYSA-N
XLogP3.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903265
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120903266
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
CID 120905528
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575

Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904553) is 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)s1.
What is the InChIKey of 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is RYPZAVACDFTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S.ClH/c20-18-21-12-17(24-18)14-22-9-6-19(7-10-22)8-11-23(15-19)13-16-4-2-1-3-5-16;/h1-5,12H,6-11,13-15H2,(H2,20,21);1H.
What are the key properties of 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 378.97 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).