2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H11ClF3N5S — CID 42642032

IUPAC2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4ccccc4Cl)nc23)nc1
InChIInChI=1S/C18H11ClF3N5S/c19-12-4-2-1-3-10(12)7-14-27-15-16(24-9-25-17(15)28-14)26-13-6-5-11(8-23-13)18(20,21)22/h1-6,8-9H,7H2,(H,23,24,25,26)
InChIKeyHNCFCPIAFVTWKA-UHFFFAOYSA-N
MW421.84 g/mol
LogP5.49
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42642032) has the molecular formula C18H11ClF3N5S and a molecular weight of 421.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42642032
Molecular FormulaC18H11ClF3N5S
Molecular Weight421.84 g/mol
Exact Mass421.04
IUPAC Name2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4ccccc4Cl)nc23)nc1
InChIInChI=1S/C18H11ClF3N5S/c19-12-4-2-1-3-10(12)7-14-27-15-16(24-9-25-17(15)28-14)26-13-6-5-11(8-23-13)18(20,21)22/h1-6,8-9H,7H2,(H,23,24,25,26)
InChIKeyHNCFCPIAFVTWKA-UHFFFAOYSA-N
XLogP5.49
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.84
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42642032) is 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1ccc(Nc2ncnc3sc(Cc4ccccc4Cl)nc23)nc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is HNCFCPIAFVTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5S/c19-12-4-2-1-3-10(12)7-14-27-15-16(24-9-25-17(15)28-14)26-13-6-5-11(8-23-13)18(20,21)22/h1-6,8-9H,7H2,(H,23,24,25,26).
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 421.84 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42642032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).