N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine

C20H16N4S — CID 56676345

IUPACN-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C20H16N4S/c1-14-3-2-4-17(11-14)23-20-24-19(13-25-20)16-7-10-22-18(12-16)15-5-8-21-9-6-15/h2-13H,1H3,(H,23,24)
InChIKeyOHPUQKXESQBBDA-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.32
Rot. Bonds4

About N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine

N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 56676345) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
PubChem CID56676345
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC NameN-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C20H16N4S/c1-14-3-2-4-17(11-14)23-20-24-19(13-25-20)16-7-10-22-18(12-16)15-5-8-21-9-6-15/h2-13H,1H3,(H,23,24)
InChIKeyOHPUQKXESQBBDA-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-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine (CID 56676345) is N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(-c4ccncc4)c3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is OHPUQKXESQBBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-14-3-2-4-17(11-14)23-20-24-19(13-25-20)16-7-10-22-18(12-16)15-5-8-21-9-6-15/h2-13H,1H3,(H,23,24).
What are the key properties of N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-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-(3-methylphenyl)-4-(2-pyridin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56676345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).