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

C15H23N3OS — CID 56751947

IUPAC2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC3(CCCNC3)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-2-4-13-17-12(9-20-13)14(19)18-8-6-15(11-18)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3
InChIKeyRMSDMWNLYYYCFQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.31
Rot. Bonds3

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

2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 56751947) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID56751947
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC3(CCCNC3)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-2-4-13-17-12(9-20-13)14(19)18-8-6-15(11-18)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3
InChIKeyRMSDMWNLYYYCFQ-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519583
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-azepanamine
CID 56908129
N-{(3S*,4R*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinyl}acetamide
CID 70786097
(3R*,4S*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinamine
CID 86283718
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
2-methyl-N-({2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)propanamide
CID 53149422
N-({2-[1-(cyclopentylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149425
N-{[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]methyl}-2-methylpropanamide
CID 53149435
2-methyl-N-{[2-(1-propionylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}propanamide
CID 71842061
N-({2-[1-(2,2-Dimethylpropanoyl)-3-piperidinyl]-1,3-thiazol-4-YL}methyl)propanamide
CID 71842085

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone (CID 56751947) is 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCC3(CCCNC3)C2)cs1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is RMSDMWNLYYYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-4-13-17-12(9-20-13)14(19)18-8-6-15(11-18)5-3-7-16-10-15/h9,16H,2-8,10-11H2,1H3.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone?
2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56751947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).