2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H11Cl2FN4S — CID 42641006

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFc1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C18H11Cl2FN4S/c19-13-2-1-3-14(20)12(13)8-15-25-16-17(22-9-23-18(16)26-15)24-11-6-4-10(21)5-7-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyQVMLGXDPVFHAHD-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.87
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42641006) has the molecular formula C18H11Cl2FN4S and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42641006
Molecular FormulaC18H11Cl2FN4S
Molecular Weight405.29 g/mol
Exact Mass404.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFc1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C18H11Cl2FN4S/c19-13-2-1-3-14(20)12(13)8-15-25-16-17(22-9-23-18(16)26-15)24-11-6-4-10(21)5-7-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyQVMLGXDPVFHAHD-UHFFFAOYSA-N
XLogP5.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42641006) is 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Fc1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is QVMLGXDPVFHAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN4S/c19-13-2-1-3-14(20)12(13)8-15-25-16-17(22-9-23-18(16)26-15)24-11-6-4-10(21)5-7-11/h1-7,9H,8H2,(H,22,23,24).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 405.29 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42641006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).