(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C17H23N5OS — CID 97391661

IUPAC(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)C(=O)N3)cs1
InChIInChI=1S/C17H23N5OS/c1-12-19-14(11-24-12)10-22-5-3-17(4-6-22)7-15(16(23)20-17)13-8-18-21(2)9-13/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyBTQDULYARAPBHJ-HNNXBMFYSA-N
MW345.47 g/mol
LogP1.82
Rot. Bonds3

About (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391661) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97391661
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)C(=O)N3)cs1
InChIInChI=1S/C17H23N5OS/c1-12-19-14(11-24-12)10-22-5-3-17(4-6-22)7-15(16(23)20-17)13-8-18-21(2)9-13/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyBTQDULYARAPBHJ-HNNXBMFYSA-N
XLogP1.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-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

(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97469911
(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97191134
3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134074634
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
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 95585896
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
(3S)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97286307
(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
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97391661) is (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)C(=O)N3)cs1.
What is the InChIKey of (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BTQDULYARAPBHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-19-14(11-24-12)10-22-5-3-17(4-6-22)7-15(16(23)20-17)13-8-18-21(2)9-13/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 345.47 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).