N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C19H14N4OS — CID 10291291

IUPACN-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
InChIInChI=1S/C19H14N4OS/c1-2-6-15(7-3-1)24-16-8-4-5-14(13-16)22-19-21-10-9-17(23-19)18-20-11-12-25-18/h1-13H,(H,21,22,23)
InChIKeyJDMSPHKFVGVCKN-UHFFFAOYSA-N
MW346.42 g/mol
LogP5.14
Rot. Bonds5

About N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10291291) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10291291
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
InChIInChI=1S/C19H14N4OS/c1-2-6-15(7-3-1)24-16-8-4-5-14(13-16)22-19-21-10-9-17(23-19)18-20-11-12-25-18/h1-13H,(H,21,22,23)
InChIKeyJDMSPHKFVGVCKN-UHFFFAOYSA-N
XLogP5.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10291291) is N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is c1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.
What is the InChIKey of N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is JDMSPHKFVGVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-2-6-15(7-3-1)24-16-8-4-5-14(13-16)22-19-21-10-9-17(23-19)18-20-11-12-25-18/h1-13H,(H,21,22,23).
What are the key properties of N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 346.42 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10291291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).