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

C19H12Cl2F3N5S — CID 42641926

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Cc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C19H12Cl2F3N5S/c1-9-26-17(28-14-6-5-10(8-25-14)19(22,23)24)16-18(27-9)30-15(29-16)7-11-12(20)3-2-4-13(11)21/h2-6,8H,7H2,1H3,(H,25,26,27,28)
InChIKeyQEDPTVFOGDOIIU-UHFFFAOYSA-N
MW470.31 g/mol
LogP6.45
Rot. Bonds4

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

2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42641926) has the molecular formula C19H12Cl2F3N5S and a molecular weight of 470.31 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42641926
Molecular FormulaC19H12Cl2F3N5S
Molecular Weight470.31 g/mol
Exact Mass469.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Cc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C19H12Cl2F3N5S/c1-9-26-17(28-14-6-5-10(8-25-14)19(22,23)24)16-18(27-9)30-15(29-16)7-11-12(20)3-2-4-13(11)21/h2-6,8H,7H2,1H3,(H,25,26,27,28)
InChIKeyQEDPTVFOGDOIIU-UHFFFAOYSA-N
XLogP6.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42641926) is 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Cc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is QEDPTVFOGDOIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N5S/c1-9-26-17(28-14-6-5-10(8-25-14)19(22,23)24)16-18(27-9)30-15(29-16)7-11-12(20)3-2-4-13(11)21/h2-6,8H,7H2,1H3,(H,25,26,27,28).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 470.31 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42641926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).