N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride

C22H20ClN3O2S2 — CID 24764712

IUPACN-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cccc(Sc2cnc(Nc3nc(C)cs3)c(Oc3ccccc3)c2)c1.Cl
InChIInChI=1S/C22H19N3O2S2.ClH/c1-15-14-28-22(24-15)25-21-20(27-16-7-4-3-5-8-16)12-19(13-23-21)29-18-10-6-9-17(11-18)26-2;/h3-14H,1-2H3,(H,23,24,25);1H
InChIKeyNBAFLPHNLZJCGZ-UHFFFAOYSA-N
MW458.01 g/mol
LogP6.96
Rot. Bonds7

About N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride

N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 24764712) has the molecular formula C22H20ClN3O2S2 and a molecular weight of 458.01 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID24764712
Molecular FormulaC22H20ClN3O2S2
Molecular Weight458.01 g/mol
Exact Mass457.07
IUPAC NameN-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cccc(Sc2cnc(Nc3nc(C)cs3)c(Oc3ccccc3)c2)c1.Cl
InChIInChI=1S/C22H19N3O2S2.ClH/c1-15-14-28-22(24-15)25-21-20(27-16-7-4-3-5-8-16)12-19(13-23-21)29-18-10-6-9-17(11-18)26-2;/h3-14H,1-2H3,(H,23,24,25);1H
InChIKeyNBAFLPHNLZJCGZ-UHFFFAOYSA-N
XLogP6.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride 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-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87228881
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
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-chloro-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]oxy]benzoic acid
CID 24764897
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
CID 87228822
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide;dihydrochloride
CID 87228998
ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate
CID 87228723
ethyl 4-chloro-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]oxy]benzoate
CID 86631477
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
N-[3-(2-bromo-4-fluorophenoxy)-5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]-4-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 87418265
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 24764712) is N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride is COc1cccc(Sc2cnc(Nc3nc(C)cs3)c(Oc3ccccc3)c2)c1.Cl.
What is the InChIKey of N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is NBAFLPHNLZJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2.ClH/c1-15-14-28-22(24-15)25-21-20(27-16-7-4-3-5-8-16)12-19(13-23-21)29-18-10-6-9-17(11-18)26-2;/h3-14H,1-2H3,(H,23,24,25);1H.
What are the key properties of N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 458.01 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 24764712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).