(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide

C15H24N6OS — CID 97271140

IUPAC(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c2nc(NCCCN3CCC[C@H](C(N)=O)C3)sc12
InChIInChI=1S/C15H24N6OS/c1-10-12-14(20(2)19-10)18-15(23-12)17-6-4-8-21-7-3-5-11(9-21)13(16)22/h11H,3-9H2,1-2H3,(H2,16,22)(H,17,18)/t11-/m0/s1
InChIKeyBJIFNGCXCOTXJX-NSHDSACASA-N
MW336.47 g/mol
LogP1.34
Rot. Bonds6

About (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide

(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide (PubChem CID 97271140) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
PubChem CID97271140
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c2nc(NCCCN3CCC[C@H](C(N)=O)C3)sc12
InChIInChI=1S/C15H24N6OS/c1-10-12-14(20(2)19-10)18-15(23-12)17-6-4-8-21-7-3-5-11(9-21)13(16)22/h11H,3-9H2,1-2H3,(H2,16,22)(H,17,18)/t11-/m0/s1
InChIKeyBJIFNGCXCOTXJX-NSHDSACASA-N
XLogP1.34
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide with MolForge

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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
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
CID 72871250
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 72913557
(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 97143743
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72896250
(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
CID 94819135
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide (CID 97271140) is (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide is Cc1nn(C)c2nc(NCCCN3CCC[C@H](C(N)=O)C3)sc12.
What is the InChIKey of (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is BJIFNGCXCOTXJX-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N6OS/c1-10-12-14(20(2)19-10)18-15(23-12)17-6-4-8-21-7-3-5-11(9-21)13(16)22/h11H,3-9H2,1-2H3,(H2,16,22)(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide?
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 336.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97271140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).