[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine

C17H16N2OS — CID 63152203

IUPAC[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOc1ccccc1-c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C17H16N2OS/c1-20-16-8-3-2-7-14(16)17-19-15(11-21-17)13-6-4-5-12(9-13)10-18/h2-9,11H,10,18H2,1H3
InChIKeyLOPXCPJESMPTDZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.94
Rot. Bonds4

About [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine

[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 63152203) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID63152203
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOc1ccccc1-c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C17H16N2OS/c1-20-16-8-3-2-7-14(16)17-19-15(11-21-17)13-6-4-5-12(9-13)10-18/h2-9,11H,10,18H2,1H3
InChIKeyLOPXCPJESMPTDZ-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983767
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
CID 102929160
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine (CID 63152203) is [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine is COc1ccccc1-c1nc(-c2cccc(CN)c2)cs1.
What is the InChIKey of [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is LOPXCPJESMPTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-16-8-3-2-7-14(16)17-19-15(11-21-17)13-6-4-5-12(9-13)10-18/h2-9,11H,10,18H2,1H3.
What are the key properties of [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 63152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).