5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

C20H17N5OS — CID 10134050

IUPAC5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H17N5OS/c1-26-15-7-5-14(6-8-15)24-17-12-13(9-11-23-17)19-18(25-20(21)27-19)16-4-2-3-10-22-16/h2-12H,1H3,(H2,21,25)(H,23,24)
InChIKeyUHOMLESLFASCKR-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.60
Rot. Bonds5

About 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 10134050) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID10134050
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H17N5OS/c1-26-15-7-5-14(6-8-15)24-17-12-13(9-11-23-17)19-18(25-20(21)27-19)16-4-2-3-10-22-16/h2-12H,1H3,(H2,21,25)(H,23,24)
InChIKeyUHOMLESLFASCKR-UHFFFAOYSA-N
XLogP4.60
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 10134050) is 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(Nc2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is UHOMLESLFASCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-26-15-7-5-14(6-8-15)24-17-12-13(9-11-23-17)19-18(25-20(21)27-19)16-4-2-3-10-22-16/h2-12H,1H3,(H2,21,25)(H,23,24).
What are the key properties of 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 375.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 10134050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).