1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C17H16N2OS — CID 60960731

IUPAC1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(Oc2cccc(CNCc3nccs3)c2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-6-15(7-3-1)20-16-8-4-5-14(11-16)12-18-13-17-19-9-10-21-17/h1-11,18H,12-13H2
InChIKeyADYRYMAZFFZVRL-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.23
Rot. Bonds6

About 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60960731) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60960731
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(Oc2cccc(CNCc3nccs3)c2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-6-15(7-3-1)20-16-8-4-5-14(11-16)12-18-13-17-19-9-10-21-17/h1-11,18H,12-13H2
InChIKeyADYRYMAZFFZVRL-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
2-phenoxy-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 70077436
1-(3-phenoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000596
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
3-[(3-phenoxyphenyl)methylamino]propanenitrile
CID 28728151
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60960731) is 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(Oc2cccc(CNCc3nccs3)c2)cc1.
What is the InChIKey of 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is ADYRYMAZFFZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-6-15(7-3-1)20-16-8-4-5-14(11-16)12-18-13-17-19-9-10-21-17/h1-11,18H,12-13H2.
What are the key properties of 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 296.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60960731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).