N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C14H22N4OS — CID 72841821

IUPACN-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCOCC1(CNc2nc3c(s2)c(C)nn3C)CCC1
InChIInChI=1S/C14H22N4OS/c1-4-19-9-14(6-5-7-14)8-15-13-16-12-11(20-13)10(2)17-18(12)3/h4-9H2,1-3H3,(H,15,16)
InChIKeyIUTJXDNVKUCDOE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.96
Rot. Bonds6

About N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72841821) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72841821
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCOCC1(CNc2nc3c(s2)c(C)nn3C)CCC1
InChIInChI=1S/C14H22N4OS/c1-4-19-9-14(6-5-7-14)8-15-13-16-12-11(20-13)10(2)17-18(12)3/h4-9H2,1-3H3,(H,15,16)
InChIKeyIUTJXDNVKUCDOE-UHFFFAOYSA-N
XLogP2.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72841821) is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is CCOCC1(CNc2nc3c(s2)c(C)nn3C)CCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is IUTJXDNVKUCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-19-9-14(6-5-7-14)8-15-13-16-12-11(20-13)10(2)17-18(12)3/h4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 294.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72841821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).