N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C15H25N5OS — CID 72903384

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)C1
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(3)17-11)16-15(22-13)18(2)9-12-5-6-20(10-12)7-8-21-4/h12H,5-10H2,1-4H3
InChIKeyFIJIKMQTCFTMLR-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.74
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72903384) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72903384
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)C1
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(3)17-11)16-15(22-13)18(2)9-12-5-6-20(10-12)7-8-21-4/h12H,5-10H2,1-4H3
InChIKeyFIJIKMQTCFTMLR-UHFFFAOYSA-N
XLogP1.74
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72916508
1,3-dimethyl-N-(2-propoxyethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72845845
N,N-bis(2-methoxyethyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72851027
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N',N'-dimethyl-N-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 72852162
N-cyclopentyl-N'-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 72881792
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883385
N-(3-ethoxypropyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883953
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N',N'-trimethylethane-1,2-diamine
CID 72897142
N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72903936
N-{[1-(2-methoxyethyl)piperidin-3-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72921921
N-cyclopentyl-N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 72923328
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72927570

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72903384) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is COCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is FIJIKMQTCFTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-13-14(19(3)17-11)16-15(22-13)18(2)9-12-5-6-20(10-12)7-8-21-4/h12H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 323.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72903384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).