5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C12H14FN5S — CID 75437943

IUPAC5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCCc1ncnc(N2CCc3nc(N)sc3C2)c1F
InChIInChI=1S/C12H14FN5S/c1-2-7-10(13)11(16-6-15-7)18-4-3-8-9(5-18)19-12(14)17-8/h6H,2-5H2,1H3,(H2,14,17)
InChIKeyGUKWCTQFQYOIIL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds2

About 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 75437943) has the molecular formula C12H14FN5S and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID75437943
Molecular FormulaC12H14FN5S
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCCc1ncnc(N2CCc3nc(N)sc3C2)c1F
InChIInChI=1S/C12H14FN5S/c1-2-7-10(13)11(16-6-15-7)18-4-3-8-9(5-18)19-12(14)17-8/h6H,2-5H2,1H3,(H2,14,17)
InChIKeyGUKWCTQFQYOIIL-UHFFFAOYSA-N
XLogP1.78
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 75437943) is 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is CCc1ncnc(N2CCc3nc(N)sc3C2)c1F.
What is the InChIKey of 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is GUKWCTQFQYOIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5S/c1-2-7-10(13)11(16-6-15-7)18-4-3-8-9(5-18)19-12(14)17-8/h6H,2-5H2,1H3,(H2,14,17).
What are the key properties of 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 75437943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).