4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline

C15H14N4OS — CID 58917035

IUPAC4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline
SMILESCc1nc(C)c(-c2cc(Oc3ccc(N)cc3)ncn2)s1
InChIInChI=1S/C15H14N4OS/c1-9-15(21-10(2)19-9)13-7-14(18-8-17-13)20-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3
InChIKeyKBGNECAXKSAFTI-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.59
Rot. Bonds3

About 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline

4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline (PubChem CID 58917035) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline
PubChem CID58917035
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline
SMILESCc1nc(C)c(-c2cc(Oc3ccc(N)cc3)ncn2)s1
InChIInChI=1S/C15H14N4OS/c1-9-15(21-10(2)19-9)13-7-14(18-8-17-13)20-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3
InChIKeyKBGNECAXKSAFTI-UHFFFAOYSA-N
XLogP3.59
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline?
The IUPAC name of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline (CID 58917035) is 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline.
What is the SMILES notation for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline?
The canonical SMILES for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline is Cc1nc(C)c(-c2cc(Oc3ccc(N)cc3)ncn2)s1.
What is the InChIKey of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline?
The InChIKey is KBGNECAXKSAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-15(21-10(2)19-9)13-7-14(18-8-17-13)20-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3.
What are the key properties of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline?
4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline has a molecular weight of 298.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 58917035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).