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

C23H21N3OS2 — CID 16660174

IUPACN-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C23H21N3OS2/c1-17-15-29-23(25-17)26-22-21(27-14-18-8-4-2-5-9-18)12-20(13-24-22)28-16-19-10-6-3-7-11-19/h2-13,15H,14,16H2,1H3,(H,24,25,26)
InChIKeyQFFBLBBPLLDRTA-UHFFFAOYSA-N
MW419.58 g/mol
LogP6.46
Rot. Bonds8

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

N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 16660174) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID16660174
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC NameN-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C23H21N3OS2/c1-17-15-29-23(25-17)26-22-21(27-14-18-8-4-2-5-9-18)12-20(13-24-22)28-16-19-10-6-3-7-11-19/h2-13,15H,14,16H2,1H3,(H,24,25,26)
InChIKeyQFFBLBBPLLDRTA-UHFFFAOYSA-N
XLogP6.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 16660174) is N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(SCc3ccccc3)cc2OCc2ccccc2)n1.
What is the InChIKey of N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QFFBLBBPLLDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c1-17-15-29-23(25-17)26-22-21(27-14-18-8-4-2-5-9-18)12-20(13-24-22)28-16-19-10-6-3-7-11-19/h2-13,15H,14,16H2,1H3,(H,24,25,26).
What are the key properties of N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 419.58 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16660174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).