3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine

C20H16N4S — CID 175923537

IUPAC3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine
SMILESCc1cccnc1-c1csc(-c2c(-c3ccccc3)ccnc2N)n1
InChIInChI=1S/C20H16N4S/c1-13-6-5-10-22-18(13)16-12-25-20(24-16)17-15(9-11-23-19(17)21)14-7-3-2-4-8-14/h2-12H,1H3,(H2,21,23)
InChIKeyKQLSIYKACHQCQB-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.82
Rot. Bonds3

About 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine

3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine (PubChem CID 175923537) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine
PubChem CID175923537
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine
SMILESCc1cccnc1-c1csc(-c2c(-c3ccccc3)ccnc2N)n1
InChIInChI=1S/C20H16N4S/c1-13-6-5-10-22-18(13)16-12-25-20(24-16)17-15(9-11-23-19(17)21)14-7-3-2-4-8-14/h2-12H,1H3,(H2,21,23)
InChIKeyKQLSIYKACHQCQB-UHFFFAOYSA-N
XLogP4.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine?
The IUPAC name of 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine (CID 175923537) is 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine.
What is the SMILES notation for 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine?
The canonical SMILES for 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine is Cc1cccnc1-c1csc(-c2c(-c3ccccc3)ccnc2N)n1.
What is the InChIKey of 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine?
The InChIKey is KQLSIYKACHQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-13-6-5-10-22-18(13)16-12-25-20(24-16)17-15(9-11-23-19(17)21)14-7-3-2-4-8-14/h2-12H,1H3,(H2,21,23).
What are the key properties of 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine?
3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine has a molecular weight of 344.44 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine is sourced from PubChem (CID 175923537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).