1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C15H25N5OS — CID 72896250

IUPAC1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCOC3CCN(C)CC3)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(20(3)18-11)17-15(22-13)16-7-4-10-21-12-5-8-19(2)9-6-12/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeySMDFMOYRFCBZGB-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.25
Rot. Bonds6

About 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72896250) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72896250
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCOC3CCN(C)CC3)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(20(3)18-11)17-15(22-13)16-7-4-10-21-12-5-8-19(2)9-6-12/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeySMDFMOYRFCBZGB-UHFFFAOYSA-N
XLogP2.25
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine 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

[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
CID 97281554
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-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
CID 72871250
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 97285582
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
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-dimethyl-5-(3-piperidin-4-yloxypropylamino)pyrazole-4-carbonitrile
CID 63870517
1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97444472
4-butoxy-1-methylpiperidine;ethane
CID 143443948
4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193751

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72896250) is 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCCOC3CCN(C)CC3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SMDFMOYRFCBZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-13-14(20(3)18-11)17-15(22-13)16-7-4-10-21-12-5-8-19(2)9-6-12/h12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 323.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72896250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).