2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone

C14H22N4OS — CID 56754387

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H22N4OS/c1-10-11(20-13(15)17-10)7-12(19)18-6-2-3-14(9-18)4-5-16-8-14/h16H,2-9H2,1H3,(H2,15,17)
InChIKeyHZROXDBDSABIFT-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.18
Rot. Bonds2

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone (PubChem CID 56754387) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
PubChem CID56754387
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H22N4OS/c1-10-11(20-13(15)17-10)7-12(19)18-6-2-3-14(9-18)4-5-16-8-14/h16H,2-9H2,1H3,(H2,15,17)
InChIKeyHZROXDBDSABIFT-UHFFFAOYSA-N
XLogP1.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone (CID 56754387) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone is Cc1nc(N)sc1CC(=O)N1CCCC2(CCNC2)C1.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The InChIKey is HZROXDBDSABIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-11(20-13(15)17-10)7-12(19)18-6-2-3-14(9-18)4-5-16-8-14/h16H,2-9H2,1H3,(H2,15,17).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(2,7-diazaspiro[4.5]decan-7-yl)ethanone is sourced from PubChem (CID 56754387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).