(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C18H25N5OS — CID 97490159

IUPAC(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1
InChIInChI=1S/C18H25N5OS/c1-14-20-16(12-25-14)11-23-7-5-18(17(23)24)4-3-6-22(13-18)10-15-8-19-21(2)9-15/h8-9,12H,3-7,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeyDAJZANNMHSCLEG-SFHVURJKSA-N
MW359.50 g/mol
LogP2.20
Rot. Bonds4

About (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490159) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490159
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1
InChIInChI=1S/C18H25N5OS/c1-14-20-16(12-25-14)11-23-7-5-18(17(23)24)4-3-6-22(13-18)10-15-8-19-21(2)9-15/h8-9,12H,3-7,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeyDAJZANNMHSCLEG-SFHVURJKSA-N
XLogP2.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449825
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650844
(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489971
9-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 134075085
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133364
1'-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673771
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
(5R)-7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451405
7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131661956
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(4aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97409897

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 97490159) is (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1nc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1.
What is the InChIKey of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DAJZANNMHSCLEG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-20-16(12-25-14)11-23-7-5-18(17(23)24)4-3-6-22(13-18)10-15-8-19-21(2)9-15/h8-9,12H,3-7,10-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 359.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).