4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine

C24H23N3OS2 — CID 16660841

IUPAC4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCCc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C24H23N3OS2/c1-18-17-30-24(26-18)27-23-22(28-16-20-10-6-3-7-11-20)14-21(15-25-23)29-13-12-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,26,27)
InChIKeyXNAFTIAWXHSWLI-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.50
Rot. Bonds9

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

4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 16660841) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID16660841
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC Name4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCCc3ccccc3)cc2OCc2ccccc2)n1
InChIInChI=1S/C24H23N3OS2/c1-18-17-30-24(26-18)27-23-22(28-16-20-10-6-3-7-11-20)14-21(15-25-23)29-13-12-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,26,27)
InChIKeyXNAFTIAWXHSWLI-UHFFFAOYSA-N
XLogP6.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
CID 16661005
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225678
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 87374565
N-[5-[(E)-3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 86639688
N-[5-[3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 173066450
4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 86639686
4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine (CID 16660841) is 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(SCCc3ccccc3)cc2OCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is XNAFTIAWXHSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-18-17-30-24(26-18)27-23-22(28-16-20-10-6-3-7-11-20)14-21(15-25-23)29-13-12-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,26,27).
What are the key properties of 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 433.60 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16660841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).