N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C15H17FN4OS — CID 72847158

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOc1ccc(C(C)Nc2nc3c(s2)c(C)nn3C)cc1F
InChIInChI=1S/C15H17FN4OS/c1-8(10-5-6-12(21-4)11(16)7-10)17-15-18-14-13(22-15)9(2)19-20(14)3/h5-8H,1-4H3,(H,17,18)
InChIKeyQPOLIZNUDQJLRL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72847158) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72847158
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOc1ccc(C(C)Nc2nc3c(s2)c(C)nn3C)cc1F
InChIInChI=1S/C15H17FN4OS/c1-8(10-5-6-12(21-4)11(16)7-10)17-15-18-14-13(22-15)9(2)19-20(14)3/h5-8H,1-4H3,(H,17,18)
InChIKeyQPOLIZNUDQJLRL-UHFFFAOYSA-N
XLogP3.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103688141
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 51104803
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
1-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777008
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79089662
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72847158) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is COc1ccc(C(C)Nc2nc3c(s2)c(C)nn3C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is QPOLIZNUDQJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-8(10-5-6-12(21-4)11(16)7-10)17-15-18-14-13(22-15)9(2)19-20(14)3/h5-8H,1-4H3,(H,17,18).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 320.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72847158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).