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

C22H19N3OS2 — CID 24765640

IUPACN-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C22H19N3OS2/c1-16-14-28-22(24-16)25-21-20(26-18-10-6-3-7-11-18)12-19(13-23-21)27-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyICFDGIUNTZOZLF-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.67
Rot. Bonds7

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

N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 24765640) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID24765640
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccc3)cc2Oc2ccccc2)n1
InChIInChI=1S/C22H19N3OS2/c1-16-14-28-22(24-16)25-21-20(26-18-10-6-3-7-11-18)12-19(13-23-21)27-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,23,24,25)
InChIKeyICFDGIUNTZOZLF-UHFFFAOYSA-N
XLogP6.67
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 ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373
N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 24764712
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87228881
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide;dihydrochloride
CID 87228998
N-[5-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-4-ylsulfanyl)-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;methane
CID 157213899
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate
CID 87228723
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-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

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 24765640) is N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(SCc3ccccc3)cc2Oc2ccccc2)n1.
What is the InChIKey of N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ICFDGIUNTZOZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-16-14-28-22(24-16)25-21-20(26-18-10-6-3-7-11-18)12-19(13-23-21)27-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,23,24,25).
What are the key properties of N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 405.55 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24765640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).