N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine

C20H16N4S — CID 89427046

IUPACN-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccncc4)cc3)cs2)n1
InChIInChI=1S/C20H16N4S/c1-14-3-2-4-19(22-14)24-20-23-18(13-25-20)17-7-5-15(6-8-17)16-9-11-21-12-10-16/h2-13H,1H3,(H,22,23,24)
InChIKeyDMGVTIWLXCQBPH-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.32
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine

N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 89427046) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine
PubChem CID89427046
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccncc4)cc3)cs2)n1
InChIInChI=1S/C20H16N4S/c1-14-3-2-4-19(22-14)24-20-23-18(13-25-20)17-7-5-15(6-8-17)16-9-11-21-12-10-16/h2-13H,1H3,(H,22,23,24)
InChIKeyDMGVTIWLXCQBPH-UHFFFAOYSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine (CID 89427046) is N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccncc4)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DMGVTIWLXCQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-14-3-2-4-19(22-14)24-20-23-18(13-25-20)17-7-5-15(6-8-17)16-9-11-21-12-10-16/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 344.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89427046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).