N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C20H15FN4OS — CID 10134251

IUPACN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESFc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H15FN4OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13H2,(H,23,24,25)
InChIKeyKZLRQCQLKYFUGO-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.06
Rot. Bonds6

About N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10134251) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10134251
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESFc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H15FN4OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13H2,(H,23,24,25)
InChIKeyKZLRQCQLKYFUGO-UHFFFAOYSA-N
XLogP5.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10134251) is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Fc1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is KZLRQCQLKYFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-15-4-1-3-14(11-15)13-26-17-6-2-5-16(12-17)24-20-23-8-7-18(25-20)19-22-9-10-27-19/h1-12H,13H2,(H,23,24,25).
What are the key properties of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 378.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10134251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).