4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine

C20H16N4OS2 — CID 24765183

IUPAC4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccncc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C20H16N4OS2/c1-14-13-26-20(23-14)24-19-18(25-15-5-3-2-4-6-15)11-17(12-22-19)27-16-7-9-21-10-8-16/h2-13H,1H3,(H,22,23,24)
InChIKeyZWPCANBALVUYJI-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.93
Rot. Bonds6

About 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine

4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 24765183) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID24765183
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC Name4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccncc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C20H16N4OS2/c1-14-13-26-20(23-14)24-19-18(25-15-5-3-2-4-6-15)11-17(12-22-19)27-16-7-9-21-10-8-16/h2-13H,1H3,(H,22,23,24)
InChIKeyZWPCANBALVUYJI-UHFFFAOYSA-N
XLogP5.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 24765183) is 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Sc3ccncc3)cc2Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ZWPCANBALVUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c1-14-13-26-20(23-14)24-19-18(25-15-5-3-2-4-6-15)11-17(12-22-19)27-16-7-9-21-10-8-16/h2-13H,1H3,(H,22,23,24).
What are the key properties of 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 392.51 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).