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

C24H17N5S — CID 108779744

IUPAC6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3cccc(-c4csc(-c5ccccn5)n4)c3)ncn2)cc1
InChIInChI=1S/C24H17N5S/c1-2-7-17(8-3-1)21-14-23(27-16-26-21)28-19-10-6-9-18(13-19)22-15-30-24(29-22)20-11-4-5-12-25-20/h1-16H,(H,26,27,28)
InChIKeyCBPDNCYWNOOXDO-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.07
Rot. Bonds5

About 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 108779744) has the molecular formula C24H17N5S and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID108779744
Molecular FormulaC24H17N5S
Molecular Weight407.50 g/mol
Exact Mass407.12
IUPAC Name6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3cccc(-c4csc(-c5ccccn5)n4)c3)ncn2)cc1
InChIInChI=1S/C24H17N5S/c1-2-7-17(8-3-1)21-14-23(27-16-26-21)28-19-10-6-9-18(13-19)22-15-30-24(29-22)20-11-4-5-12-25-20/h1-16H,(H,26,27,28)
InChIKeyCBPDNCYWNOOXDO-UHFFFAOYSA-N
XLogP6.07
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779791
6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
CID 108779736
4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine
CID 108779753
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
6-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)pyridin-2-amine
CID 161281145
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 108779744) is 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is c1ccc(-c2cc(Nc3cccc(-c4csc(-c5ccccn5)n4)c3)ncn2)cc1.
What is the InChIKey of 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is CBPDNCYWNOOXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5S/c1-2-7-17(8-3-1)21-14-23(27-16-26-21)28-19-10-6-9-18(13-19)22-15-30-24(29-22)20-11-4-5-12-25-20/h1-16H,(H,26,27,28).
What are the key properties of 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 407.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).