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

C16H27N5OS — CID 97283243

IUPACN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC[C@@H](CN(C)c2nc3c(s2)c(C)nn3C)C1
InChIInChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)10-13-6-5-7-21(11-13)8-9-22-4/h13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyXGORJSRMJHOCMJ-ZDUSSCGKSA-N
MW337.49 g/mol
LogP2.13
Rot. Bonds6

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

N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97283243) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97283243
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC NameN-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN1CCC[C@@H](CN(C)c2nc3c(s2)c(C)nn3C)C1
InChIInChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)10-13-6-5-7-21(11-13)8-9-22-4/h13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyXGORJSRMJHOCMJ-ZDUSSCGKSA-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

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131930333
N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97274513
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72885641
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one
CID 72860611
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72920681
N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72940604
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97286238
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97283243) is N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is COCCN1CCC[C@@H](CN(C)c2nc3c(s2)c(C)nn3C)C1.
What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is XGORJSRMJHOCMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-12-14-15(20(3)18-12)17-16(23-14)19(2)10-13-6-5-7-21(11-13)8-9-22-4/h13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-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-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97283243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).