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

C16H27N5OS — CID 72927570

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)11-13-5-7-21(8-6-13)9-10-22-4/h13H,5-11H2,1-4H3
InChIKeySGRHCSLYDBBVMK-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.13
Rot. Bonds6

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72927570) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72927570
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)11-13-5-7-21(8-6-13)9-10-22-4/h13H,5-11H2,1-4H3
InChIKeySGRHCSLYDBBVMK-UHFFFAOYSA-N
XLogP2.13
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl [4-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 72843323
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
1-{3-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]propyl}piperidine-3-carboxamide
CID 72854350
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-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72903384
1,3-dimethyl-N-4-piperidinyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine dihydrochloride
CID 72919789
N-{[1-(2-methoxyethyl)piperidin-3-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72921921

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72927570) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is COCCN1CCC(CN(C)c2nc3c(s2)c(C)nn3C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SGRHCSLYDBBVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)11-13-5-7-21(8-6-13)9-10-22-4/h13H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 337.49 g/mol, XLogP of 2.13, 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)piperidin-4-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72927570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).