N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C14H15FN4S — CID 72940604

IUPACN-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3ccc(F)cc3)sc12
InChIInChI=1S/C14H15FN4S/c1-9-12-13(19(3)17-9)16-14(20-12)18(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3
InChIKeySAFHJUWKMSXCAU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.11
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72940604) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72940604
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3ccc(F)cc3)sc12
InChIInChI=1S/C14H15FN4S/c1-9-12-13(19(3)17-9)16-14(20-12)18(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3
InChIKeySAFHJUWKMSXCAU-UHFFFAOYSA-N
XLogP3.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72940604) is N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)Cc3ccc(F)cc3)sc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SAFHJUWKMSXCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-9-12-13(19(3)17-9)16-14(20-12)18(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 290.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72940604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).