N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C17H26ClN5S — CID 154793432

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCc1csc(CN(Cc2nccn2C)C2CC23CCNCC3)n1.Cl
InChIInChI=1S/C17H25N5S.ClH/c1-13-12-23-16(20-13)11-22(10-15-19-7-8-21(15)2)14-9-17(14)3-5-18-6-4-17;/h7-8,12,14,18H,3-6,9-11H2,1-2H3;1H
InChIKeyAASBZAKLNOANTC-UHFFFAOYSA-N
MW367.95 g/mol
LogP2.75
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 154793432) has the molecular formula C17H26ClN5S and a molecular weight of 367.95 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID154793432
Molecular FormulaC17H26ClN5S
Molecular Weight367.95 g/mol
Exact Mass367.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCc1csc(CN(Cc2nccn2C)C2CC23CCNCC3)n1.Cl
InChIInChI=1S/C17H25N5S.ClH/c1-13-12-23-16(20-13)11-22(10-15-19-7-8-21(15)2)14-9-17(14)3-5-18-6-4-17;/h7-8,12,14,18H,3-6,9-11H2,1-2H3;1H
InChIKeyAASBZAKLNOANTC-UHFFFAOYSA-N
XLogP2.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 154793432) is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cc1csc(CN(Cc2nccn2C)C2CC23CCNCC3)n1.Cl.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is AASBZAKLNOANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S.ClH/c1-13-12-23-16(20-13)11-22(10-15-19-7-8-21(15)2)14-9-17(14)3-5-18-6-4-17;/h7-8,12,14,18H,3-6,9-11H2,1-2H3;1H.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 154793432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).