7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

C17H13FN6S — CID 16660900

IUPAC7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nccc(Nc2ncc(-c3cncc(F)c3)c3sc(C)nc23)n1
InChIInChI=1S/C17H13FN6S/c1-9-20-4-3-14(22-9)24-17-15-16(25-10(2)23-15)13(8-21-17)11-5-12(18)7-19-6-11/h3-8H,1-2H3,(H,20,21,22,24)
InChIKeyQFRJWWVHDUCVDZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.04
Rot. Bonds3

About 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (PubChem CID 16660900) has the molecular formula C17H13FN6S and a molecular weight of 352.40 g/mol. Its IUPAC name is 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
PubChem CID16660900
Molecular FormulaC17H13FN6S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nccc(Nc2ncc(-c3cncc(F)c3)c3sc(C)nc23)n1
InChIInChI=1S/C17H13FN6S/c1-9-20-4-3-14(22-9)24-17-15-16(25-10(2)23-15)13(8-21-17)11-5-12(18)7-19-6-11/h3-8H,1-2H3,(H,20,21,22,24)
InChIKeyQFRJWWVHDUCVDZ-UHFFFAOYSA-N
XLogP4.04
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (CID 16660900) is 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is Cc1nccc(Nc2ncc(-c3cncc(F)c3)c3sc(C)nc23)n1.
What is the InChIKey of 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The InChIKey is QFRJWWVHDUCVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S/c1-9-20-4-3-14(22-9)24-17-15-16(25-10(2)23-15)13(8-21-17)11-5-12(18)7-19-6-11/h3-8H,1-2H3,(H,20,21,22,24).
What are the key properties of 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-3-pyridinyl)-2-methyl-N-(2-methylpyrimidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 16660900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).