(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol

C15H16FN5OS2 — CID 23519822

IUPAC(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12
InChIInChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1
InChIKeyFFSHAZBWGKKFBM-MRVPVSSYSA-N
MW365.46 g/mol
LogP2.89
Rot. Bonds6

About (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol

(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 23519822) has the molecular formula C15H16FN5OS2 and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID23519822
Molecular FormulaC15H16FN5OS2
Molecular Weight365.46 g/mol
Exact Mass365.08
IUPAC Name(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12
InChIInChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1
InChIKeyFFSHAZBWGKKFBM-MRVPVSSYSA-N
XLogP2.89
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol (CID 23519822) is (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol is C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12.
What is the InChIKey of (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is FFSHAZBWGKKFBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol?
(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 365.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 23519822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).