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

C18H10Cl2F3N5S — CID 42642034

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)nc1
InChIInChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)10(11)6-14-28-15-16(25-8-26-17(15)29-14)27-13-5-4-9(7-24-13)18(21,22)23/h1-5,7-8H,6H2,(H,24,25,26,27)
InChIKeyCCHKBOPHOFREGM-UHFFFAOYSA-N
MW456.28 g/mol
LogP6.14
Rot. Bonds4

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

2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42642034) has the molecular formula C18H10Cl2F3N5S and a molecular weight of 456.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42642034
Molecular FormulaC18H10Cl2F3N5S
Molecular Weight456.28 g/mol
Exact Mass455.00
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)nc1
InChIInChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)10(11)6-14-28-15-16(25-8-26-17(15)29-14)27-13-5-4-9(7-24-13)18(21,22)23/h1-5,7-8H,6H2,(H,24,25,26,27)
InChIKeyCCHKBOPHOFREGM-UHFFFAOYSA-N
XLogP6.14
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.28
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
N2-(2,6-dichlorophenyl)-N5-isobutyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882754
N7-(4-tert-butylphenyl)-N2-(2,6-dichlorophenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882958
2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-1H-imidazo[4,5-c]pyridin-4-amine
CID 53476104
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 67383086
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
8-[4-[(2,4-Dichlorophenyl)methyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10645615
(6-Chloro-pyridin-3-yl)-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-amine
CID 11198278
N2-(2,6-dichlorophenyl)-N5-isopropyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882876
N2-(2,6-dichlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
N2-(2,6-dichlorophenyl)-N7-(6-(trifluoromethyl)pyridin-3-yl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882957

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42642034) is 2-[(2,6-dichlorophenyl)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]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)nc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is CCHKBOPHOFREGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)10(11)6-14-28-15-16(25-8-26-17(15)29-14)27-13-5-4-9(7-24-13)18(21,22)23/h1-5,7-8H,6H2,(H,24,25,26,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 456.28 g/mol, XLogP of 6.14, 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]-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42642034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).