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

C17H25N5S — CID 97370376

IUPAC2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCn1cc(CN2CCC[C@]3(CCN(Cc4nccs4)C3)C2)cn1
InChIInChI=1S/C17H25N5S/c1-20-10-15(9-19-20)11-21-6-2-3-17(13-21)4-7-22(14-17)12-16-18-5-8-23-16/h5,8-10H,2-4,6-7,11-14H2,1H3/t17-/m0/s1
InChIKeySBJSRPQGVHSJKS-KRWDZBQOSA-N
MW331.49 g/mol
LogP2.36
Rot. Bonds4

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

2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (PubChem CID 97370376) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
PubChem CID97370376
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCn1cc(CN2CCC[C@]3(CCN(Cc4nccs4)C3)C2)cn1
InChIInChI=1S/C17H25N5S/c1-20-10-15(9-19-20)11-21-6-2-3-17(13-21)4-7-22(14-17)12-16-18-5-8-23-16/h5,8-10H,2-4,6-7,11-14H2,1H3/t17-/m0/s1
InChIKeySBJSRPQGVHSJKS-KRWDZBQOSA-N
XLogP2.36
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
(5S)-10-[(1-methylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384951
2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482790
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 131649452
(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482915
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (CID 97370376) is 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is Cn1cc(CN2CCC[C@]3(CCN(Cc4nccs4)C3)C2)cn1.
What is the InChIKey of 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The InChIKey is SBJSRPQGVHSJKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N5S/c1-20-10-15(9-19-20)11-21-6-2-3-17(13-21)4-7-22(14-17)12-16-18-5-8-23-16/h5,8-10H,2-4,6-7,11-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole has a molecular weight of 331.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).