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

C21H18N4OS2 — CID 16660671

IUPAC4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccn3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H18N4OS2/c1-15-14-27-21(24-15)25-20-18(26-13-16-7-3-2-4-8-16)11-17(12-23-20)28-19-9-5-6-10-22-19/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyLNDXOEJPYHCIAV-UHFFFAOYSA-N
MW406.54 g/mol
LogP5.72
Rot. Bonds7

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

4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 16660671) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID16660671
Molecular FormulaC21H18N4OS2
Molecular Weight406.54 g/mol
Exact Mass406.09
IUPAC Name4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccn3)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H18N4OS2/c1-15-14-27-21(24-15)25-20-18(26-13-16-7-3-2-4-8-16)11-17(12-23-20)28-19-9-5-6-10-22-19/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyLNDXOEJPYHCIAV-UHFFFAOYSA-N
XLogP5.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 55.72
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-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 16660671) is 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Sc3ccccn3)cc2OCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is LNDXOEJPYHCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-15-14-27-21(24-15)25-20-18(26-13-16-7-3-2-4-8-16)11-17(12-23-20)28-19-9-5-6-10-22-19/h2-12,14H,13H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 406.54 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16660671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).