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

C22H19N3OS2 — CID 59225645

IUPAC4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C22H19N3OS2/c1-16-15-27-22(24-16)25-21-20(26-14-17-8-4-2-5-9-17)12-19(13-23-21)28-18-10-6-3-7-11-18/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyXVJWONNYLHHEQI-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.32
Rot. Bonds7

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

4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 59225645) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID59225645
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC Name4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Sc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C22H19N3OS2/c1-16-15-27-22(24-16)25-21-20(26-14-17-8-4-2-5-9-17)12-19(13-23-21)28-18-10-6-3-7-11-18/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyXVJWONNYLHHEQI-UHFFFAOYSA-N
XLogP6.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 59225645) is 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Sc3ccccc3)cc2OCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is XVJWONNYLHHEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-16-15-27-22(24-16)25-21-20(26-14-17-8-4-2-5-9-17)12-19(13-23-21)28-18-10-6-3-7-11-18/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 405.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylmethoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59225645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).