N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C21H17N3O2S — CID 58791567

IUPACN-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Oc2ccccc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H17N3O2S/c1-25-20-10-9-17(26-16-7-3-2-4-8-16)12-18(20)23-21-24-19(14-27-21)15-6-5-11-22-13-15/h2-14H,1H3,(H,23,24)
InChIKeyVVLREFCZBPTTCV-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.75
Rot. Bonds6

About N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791567) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791567
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Oc2ccccc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H17N3O2S/c1-25-20-10-9-17(26-16-7-3-2-4-8-16)12-18(20)23-21-24-19(14-27-21)15-6-5-11-22-13-15/h2-14H,1H3,(H,23,24)
InChIKeyVVLREFCZBPTTCV-UHFFFAOYSA-N
XLogP5.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636
4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 53338354
N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
CID 87483194
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791567) is N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is COc1ccc(Oc2ccccc2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is VVLREFCZBPTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-25-20-10-9-17(26-16-7-3-2-4-8-16)12-18(20)23-21-24-19(14-27-21)15-6-5-11-22-13-15/h2-14H,1H3,(H,23,24).
What are the key properties of N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 375.45 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).