1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C16H24N4OS — CID 162631165

IUPAC1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCCC12CCCN2Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C16H24N4OS/c21-14-16(5-3-7-17-14)6-4-10-20(16)12-13-11-18-15(22-13)19-8-1-2-9-19/h11H,1-10,12H2,(H,17,21)
InChIKeyXUHXTXGCJFICFA-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.99
Rot. Bonds3

About 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631165) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631165
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCCC12CCCN2Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C16H24N4OS/c21-14-16(5-3-7-17-14)6-4-10-20(16)12-13-11-18-15(22-13)19-8-1-2-9-19/h11H,1-10,12H2,(H,17,21)
InChIKeyXUHXTXGCJFICFA-UHFFFAOYSA-N
XLogP1.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456032
N-isopropyl-1'-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-1,4'-bipiperidine-4-carboxamide
CID 25386247
2-[2-(Ethylamino)-1,3-thiazole-5-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 132321910
3-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45239292
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 52918576
(2S)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 52918702
(2S)-N-[(2R)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 52918828
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
CID 52918830
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 52918942
N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
CID 87309996
N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 87310096
(2R)-N-[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 160902797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162631165) is 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is O=C1NCCCC12CCCN2Cc1cnc(N2CCCC2)s1.
What is the InChIKey of 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XUHXTXGCJFICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c21-14-16(5-3-7-17-14)6-4-10-20(16)12-13-11-18-15(22-13)19-8-1-2-9-19/h11H,1-10,12H2,(H,17,21).
What are the key properties of 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 320.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).