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

C19H16FN5OS — CID 87514495

IUPAC5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4ccccn4)sc3F)cn2)cc1
InChIInChI=1S/C19H16FN5OS/c1-26-15-7-5-13(6-8-15)11-25-12-14(10-22-25)17-18(20)27-19(24-17)23-16-4-2-3-9-21-16/h2-10,12H,11H2,1H3,(H,21,23,24)
InChIKeySWOZNCBOCFVDHR-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.34
Rot. Bonds6

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

5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 87514495) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID87514495
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(Nc4ccccn4)sc3F)cn2)cc1
InChIInChI=1S/C19H16FN5OS/c1-26-15-7-5-13(6-8-15)11-25-12-14(10-22-25)17-18(20)27-19(24-17)23-16-4-2-3-9-21-16/h2-10,12H,11H2,1H3,(H,21,23,24)
InChIKeySWOZNCBOCFVDHR-UHFFFAOYSA-N
XLogP4.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 87514495) is 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(Cn2cc(-c3nc(Nc4ccccn4)sc3F)cn2)cc1.
What is the InChIKey of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is SWOZNCBOCFVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-26-15-7-5-13(6-8-15)11-25-12-14(10-22-25)17-18(20)27-19(24-17)23-16-4-2-3-9-21-16/h2-10,12H,11H2,1H3,(H,21,23,24).
What are the key properties of 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 381.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87514495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).