5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

C19H16FN5S — CID 126466588

IUPAC5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccncc2)sc1-c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN5S/c1-13-18(26-19(23-13)22-12-14-6-9-21-10-7-14)17-8-11-25(24-17)16-4-2-15(20)3-5-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYEDNJWNAGNCFSY-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.45
Rot. Bonds5

About 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 126466588) has the molecular formula C19H16FN5S and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID126466588
Molecular FormulaC19H16FN5S
Molecular Weight365.44 g/mol
Exact Mass365.11
IUPAC Name5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccncc2)sc1-c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN5S/c1-13-18(26-19(23-13)22-12-14-6-9-21-10-7-14)17-8-11-25(24-17)16-4-2-15(20)3-5-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYEDNJWNAGNCFSY-UHFFFAOYSA-N
XLogP4.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (CID 126466588) is 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2ccncc2)sc1-c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is YEDNJWNAGNCFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S/c1-13-18(26-19(23-13)22-12-14-6-9-21-10-7-14)17-8-11-25(24-17)16-4-2-15(20)3-5-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 365.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126466588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).