4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

C16H9Cl2FN6S — CID 66801203

IUPAC4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C16H9Cl2FN6S/c17-7-2-1-3-8(18)12(7)16-25-13-9(19)5-21-15(14(13)26-16)24-11-4-10(20)22-6-23-11/h1-6H,(H3,20,21,22,23,24)
InChIKeyPZLPITWUPXBTSJ-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.92
Rot. Bonds3

About 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 66801203) has the molecular formula C16H9Cl2FN6S and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID66801203
Molecular FormulaC16H9Cl2FN6S
Molecular Weight407.26 g/mol
Exact Mass406.00
IUPAC Name4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C16H9Cl2FN6S/c17-7-2-1-3-8(18)12(7)16-25-13-9(19)5-21-15(14(13)26-16)24-11-4-10(20)22-6-23-11/h1-6H,(H3,20,21,22,23,24)
InChIKeyPZLPITWUPXBTSJ-UHFFFAOYSA-N
XLogP4.92
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 66801203) is 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is Nc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1.
What is the InChIKey of 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is PZLPITWUPXBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN6S/c17-7-2-1-3-8(18)12(7)16-25-13-9(19)5-21-15(14(13)26-16)24-11-4-10(20)22-6-23-11/h1-6H,(H3,20,21,22,23,24).
What are the key properties of 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 407.26 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 66801203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).