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

C16H15N3OS — CID 106485150

IUPAC[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3OS/c17-9-12-4-3-5-14(8-12)20-10-13-11-21-16(19-13)15-6-1-2-7-18-15/h1-8,11H,9-10,17H2
InChIKeyKERXYRLNDYXFBA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.24
Rot. Bonds5

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

[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 106485150) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID106485150
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3OS/c17-9-12-4-3-5-14(8-12)20-10-13-11-21-16(19-13)15-6-1-2-7-18-15/h1-8,11H,9-10,17H2
InChIKeyKERXYRLNDYXFBA-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 18291551
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002

Frequently Asked Questions

What is the IUPAC name of [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 106485150) is [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is NCc1cccc(OCc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is KERXYRLNDYXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-9-12-4-3-5-14(8-12)20-10-13-11-21-16(19-13)15-6-1-2-7-18-15/h1-8,11H,9-10,17H2.
What are the key properties of [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 297.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106485150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).