N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C21H17N3OS — CID 58791876

IUPACN-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccc(Nc3nc(-c4cccnc4)cs3)cc2)cc1
InChIInChI=1S/C21H17N3OS/c1-15-4-8-18(9-5-15)25-19-10-6-17(7-11-19)23-21-24-20(14-26-21)16-3-2-12-22-13-16/h2-14H,1H3,(H,23,24)
InChIKeyXPXIWXZOJTZSJV-UHFFFAOYSA-N
MW359.45 g/mol
LogP6.05
Rot. Bonds5

About N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791876) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791876
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccc(Nc3nc(-c4cccnc4)cs3)cc2)cc1
InChIInChI=1S/C21H17N3OS/c1-15-4-8-18(9-5-15)25-19-10-6-17(7-11-19)23-21-24-20(14-26-21)16-3-2-12-22-13-16/h2-14H,1H3,(H,23,24)
InChIKeyXPXIWXZOJTZSJV-UHFFFAOYSA-N
XLogP6.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791567
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
CID 87483194
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791876) is N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1ccc(Oc2ccc(Nc3nc(-c4cccnc4)cs3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is XPXIWXZOJTZSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15-4-8-18(9-5-15)25-19-10-6-17(7-11-19)23-21-24-20(14-26-21)16-3-2-12-22-13-16/h2-14H,1H3,(H,23,24).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 359.45 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).