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

C15H16FN7S — CID 123889336

IUPAC4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(N4CCCC(F)C4)sc23)ncn1
InChIInChI=1S/C15H16FN7S/c16-9-2-1-5-23(7-9)15-21-10-3-4-18-14(13(10)24-15)22-12-6-11(17)19-8-20-12/h3-4,6,8-9H,1-2,5,7H2,(H3,17,18,19,20,22)
InChIKeyQGVDXNFLSWJHKS-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.75
Rot. Bonds3

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

4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 123889336) has the molecular formula C15H16FN7S and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID123889336
Molecular FormulaC15H16FN7S
Molecular Weight345.41 g/mol
Exact Mass345.12
IUPAC Name4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(N4CCCC(F)C4)sc23)ncn1
InChIInChI=1S/C15H16FN7S/c16-9-2-1-5-23(7-9)15-21-10-3-4-18-14(13(10)24-15)22-12-6-11(17)19-8-20-12/h3-4,6,8-9H,1-2,5,7H2,(H3,17,18,19,20,22)
InChIKeyQGVDXNFLSWJHKS-UHFFFAOYSA-N
XLogP2.75
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 123889336) is 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is Nc1cc(Nc2nccc3nc(N4CCCC(F)C4)sc23)ncn1.
What is the InChIKey of 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is QGVDXNFLSWJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7S/c16-9-2-1-5-23(7-9)15-21-10-3-4-18-14(13(10)24-15)22-12-6-11(17)19-8-20-12/h3-4,6,8-9H,1-2,5,7H2,(H3,17,18,19,20,22).
What are the key properties of 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 123889336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).