N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C25H18ClFN4O2S — CID 23159060

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)c1
InChIInChI=1S/C25H18ClFN4O2S/c1-32-19-7-3-5-16(11-19)24-31-22-23(28-14-29-25(22)34-24)30-18-8-9-21(20(26)12-18)33-13-15-4-2-6-17(27)10-15/h2-12,14H,13H2,1H3,(H,28,29,30)
InChIKeyWJDOVWVEIGOMNO-UHFFFAOYSA-N
MW492.96 g/mol
LogP6.88
Rot. Bonds7

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 23159060) has the molecular formula C25H18ClFN4O2S and a molecular weight of 492.96 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID23159060
Molecular FormulaC25H18ClFN4O2S
Molecular Weight492.96 g/mol
Exact Mass492.08
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)c1
InChIInChI=1S/C25H18ClFN4O2S/c1-32-19-7-3-5-16(11-19)24-31-22-23(28-14-29-25(22)34-24)30-18-8-9-21(20(26)12-18)33-13-15-4-2-6-17(27)10-15/h2-12,14H,13H2,1H3,(H,28,29,30)
InChIKeyWJDOVWVEIGOMNO-UHFFFAOYSA-N
XLogP6.88
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenol
CID 143115576
2-(3-methoxyphenyl)-N-(3-methoxy-4-phenylmethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 23159012
N-[[4-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]-2-hydroxyacetamide
CID 23159071
N-[2-[[4-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl-methylamino]ethyl]acetamide
CID 11556137
2-(5-azidopentyl)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 23158993
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(methylamino)prop-1-ynyl]thieno[2,3-d]pyrimidin-4-amine
CID 59982251
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44528870
2-[[4-[7-[3-chloro-4-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methylamino]ethanol
CID 23159040
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-4-amine
CID 11496868
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 127035270
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine chloride
CID 56604054

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 23159060) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is WJDOVWVEIGOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O2S/c1-32-19-7-3-5-16(11-19)24-31-22-23(28-14-29-25(22)34-24)30-18-8-9-21(20(26)12-18)33-13-15-4-2-6-17(27)10-15/h2-12,14H,13H2,1H3,(H,28,29,30).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 492.96 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-(3-methoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 23159060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).