(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride

C19H24ClN3OS — CID 154889666

IUPAC(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1csc(Cc2ccccc2)n1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C19H23N3OS.ClH/c23-18(22-10-8-19(14-22)7-4-9-20-13-19)16-12-24-17(21-16)11-15-5-2-1-3-6-15;/h1-3,5-6,12,20H,4,7-11,13-14H2;1H
InChIKeyFEJFGJFMUOPHPT-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.37
Rot. Bonds3

About (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride

(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride (PubChem CID 154889666) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride
PubChem CID154889666
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1csc(Cc2ccccc2)n1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C19H23N3OS.ClH/c23-18(22-10-8-19(14-22)7-4-9-20-13-19)16-12-24-17(21-16)11-15-5-2-1-3-6-15;/h1-3,5-6,12,20H,4,7-11,13-14H2;1H
InChIKeyFEJFGJFMUOPHPT-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride (CID 154889666) is (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The canonical SMILES for (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride is Cl.O=C(c1csc(Cc2ccccc2)n1)N1CCC2(CCCNC2)C1.
What is the InChIKey of (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The InChIKey is FEJFGJFMUOPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.ClH/c23-18(22-10-8-19(14-22)7-4-9-20-13-19)16-12-24-17(21-16)11-15-5-2-1-3-6-15;/h1-3,5-6,12,20H,4,7-11,13-14H2;1H.
What are the key properties of (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride?
(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 154889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).