[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol

C15H25N5OS — CID 97281554

IUPAC[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1nn(C)c2nc(NCCCN3CCCC[C@H]3CO)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(2)18-11)17-15(22-13)16-7-5-9-20-8-4-3-6-12(20)10-21/h12,21H,3-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyYGJVLUJTTAEPFJ-LBPRGKRZSA-N
MW323.47 g/mol
LogP1.99
Rot. Bonds6

About [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol

[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 97281554) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID97281554
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1nn(C)c2nc(NCCCN3CCCC[C@H]3CO)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(2)18-11)17-15(22-13)16-7-5-9-20-8-4-3-6-12(20)10-21/h12,21H,3-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyYGJVLUJTTAEPFJ-LBPRGKRZSA-N
XLogP1.99
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72896250
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
CID 72871250
[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
CID 176502530
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007
[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
CID 176504271
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
CID 131906846
(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 97285582
[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 50965968
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97271699

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol (CID 97281554) is [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol is Cc1nn(C)c2nc(NCCCN3CCCC[C@H]3CO)sc12.
What is the InChIKey of [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is YGJVLUJTTAEPFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-13-14(19(2)18-11)17-15(22-13)16-7-5-9-20-8-4-3-6-12(20)10-21/h12,21H,3-10H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol?
[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 323.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 97281554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).