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

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Related Compounds

[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
2-(3-methyl-2-pyridinyl)-8-phenyl-1,5-naphthyridine
CID 174410758
3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152488
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 65197444
2-(2-methyl-6-phenylphenyl)-1,3-thiazole
CID 102473628
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
CID 155230325
2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 63020540
4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 79817613
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
CID 166135030
4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
CID 65430629
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429

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).