4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid

C16H15FN6O2S — CID 66802277

IUPAC4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C16H15FN6O2S/c17-10-3-1-9(2-4-10)13-19-11-12(20-15(18)21-14(11)26-13)22-5-7-23(8-6-22)16(24)25/h1-4H,5-8H2,(H,24,25)(H2,18,20,21)
InChIKeyITXFIWGKVAPLMF-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.27
Rot. Bonds2

About 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid

4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid (PubChem CID 66802277) has the molecular formula C16H15FN6O2S and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid
PubChem CID66802277
Molecular FormulaC16H15FN6O2S
Molecular Weight374.40 g/mol
Exact Mass374.10
IUPAC Name4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C16H15FN6O2S/c17-10-3-1-9(2-4-10)13-19-11-12(20-15(18)21-14(11)26-13)22-5-7-23(8-6-22)16(24)25/h1-4H,5-8H2,(H,24,25)(H2,18,20,21)
InChIKeyITXFIWGKVAPLMF-UHFFFAOYSA-N
XLogP2.27
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 66758792
2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 50942055
[4-[5-amino-2-[2-(4-fluorophenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46916757
1-[4-(5-amino-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 50942247
4-[2-[4-[5-amino-2-[2-(4-fluorophenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-oxoethoxy]benzoic acid
CID 66802262
4-[5-amino-2-[2-(4-fluorophenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 66759330
1-[4-[5-amino-2-[2-(4-fluorophenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46916759
4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 129097003
7-(4-benzylsulfonylpiperazin-1-yl)-2-[2-(4-fluorophenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 66758300
1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46175008
4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809
1-[4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110194588

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid (CID 66802277) is 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid is Nc1nc(N2CCN(C(=O)O)CC2)c2nc(-c3ccc(F)cc3)sc2n1.
What is the InChIKey of 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid?
The InChIKey is ITXFIWGKVAPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2S/c17-10-3-1-9(2-4-10)13-19-11-12(20-15(18)21-14(11)26-13)22-5-7-23(8-6-22)16(24)25/h1-4H,5-8H2,(H,24,25)(H2,18,20,21).
What are the key properties of 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid?
4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 66802277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).