1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide

C14H22N6OS — CID 72871250

IUPAC1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
SMILESCc1nn(C)c2nc(NCCN3CCCC(C(N)=O)C3)sc12
InChIInChI=1S/C14H22N6OS/c1-9-11-13(19(2)18-9)17-14(22-11)16-5-7-20-6-3-4-10(8-20)12(15)21/h10H,3-8H2,1-2H3,(H2,15,21)(H,16,17)
InChIKeyXTZZQYPYLMIWTL-UHFFFAOYSA-N
MW322.44 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide

1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide (PubChem CID 72871250) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
PubChem CID72871250
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC Name1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
SMILESCc1nn(C)c2nc(NCCN3CCCC(C(N)=O)C3)sc12
InChIInChI=1S/C14H22N6OS/c1-9-11-13(19(2)18-9)17-14(22-11)16-5-7-20-6-3-4-10(8-20)12(15)21/h10H,3-8H2,1-2H3,(H2,15,21)(H,16,17)
InChIKeyXTZZQYPYLMIWTL-UHFFFAOYSA-N
XLogP0.95
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]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
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 97285582
(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
CID 136803213
1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72896250
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide
CID 63029052
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide (CID 72871250) is 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide is Cc1nn(C)c2nc(NCCN3CCCC(C(N)=O)C3)sc12.
What is the InChIKey of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide?
The InChIKey is XTZZQYPYLMIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS/c1-9-11-13(19(2)18-9)17-14(22-11)16-5-7-20-6-3-4-10(8-20)12(15)21/h10H,3-8H2,1-2H3,(H2,15,21)(H,16,17).
What are the key properties of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide?
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide has a molecular weight of 322.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72871250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).