7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

C16H15FN4OS — CID 146140749

IUPAC7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESFc1ccc(OC[C@@H]2CCCN2c2ncnc3scnc23)cc1
InChIInChI=1S/C16H15FN4OS/c17-11-3-5-13(6-4-11)22-8-12-2-1-7-21(12)15-14-16(19-9-18-15)23-10-20-14/h3-6,9-10,12H,1-2,7-8H2/t12-/m0/s1
InChIKeyAOHZNQFKZGFVEB-LBPRGKRZSA-N
MW330.39 g/mol
LogP3.27
Rot. Bonds4

About 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 146140749) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID146140749
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESFc1ccc(OC[C@@H]2CCCN2c2ncnc3scnc23)cc1
InChIInChI=1S/C16H15FN4OS/c17-11-3-5-13(6-4-11)22-8-12-2-1-7-21(12)15-14-16(19-9-18-15)23-10-20-14/h3-6,9-10,12H,1-2,7-8H2/t12-/m0/s1
InChIKeyAOHZNQFKZGFVEB-LBPRGKRZSA-N
XLogP3.27
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (CID 146140749) is 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is Fc1ccc(OC[C@@H]2CCCN2c2ncnc3scnc23)cc1.
What is the InChIKey of 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is AOHZNQFKZGFVEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN4OS/c17-11-3-5-13(6-4-11)22-8-12-2-1-7-21(12)15-14-16(19-9-18-15)23-10-20-14/h3-6,9-10,12H,1-2,7-8H2/t12-/m0/s1.
What are the key properties of 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 146140749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).