N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C17H17N3O2S — CID 16660168

IUPACN-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(COc2cccnc2Nc2nc(C)cs2)c1
InChIInChI=1S/C17H17N3O2S/c1-12-11-23-17(19-12)20-16-15(7-4-8-18-16)22-10-13-5-3-6-14(9-13)21-2/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyGAXUJRATSBGESP-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 16660168) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID16660168
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(COc2cccnc2Nc2nc(C)cs2)c1
InChIInChI=1S/C17H17N3O2S/c1-12-11-23-17(19-12)20-16-15(7-4-8-18-16)22-10-13-5-3-6-14(9-13)21-2/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyGAXUJRATSBGESP-UHFFFAOYSA-N
XLogP4.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 16660168) is N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is COc1cccc(COc2cccnc2Nc2nc(C)cs2)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GAXUJRATSBGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-11-23-17(19-12)20-16-15(7-4-8-18-16)22-10-13-5-3-6-14(9-13)21-2/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 327.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)methoxy]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16660168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).