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

C15H14N2OS2 — CID 106485183

IUPAC[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H14N2OS2/c16-7-11-2-1-3-14(6-11)18-8-13-10-20-15(17-13)12-4-5-19-9-12/h1-6,9-10H,7-8,16H2
InChIKeyLIUGYHOBHAOREN-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.91
Rot. Bonds5

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

[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 106485183) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID106485183
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H14N2OS2/c16-7-11-2-1-3-14(6-11)18-8-13-10-20-15(17-13)12-4-5-19-9-12/h1-6,9-10H,7-8,16H2
InChIKeyLIUGYHOBHAOREN-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485150
N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine
CID 139688350
N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106486267
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63851176
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106485005
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758

Frequently Asked Questions

What is the IUPAC name of [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 106485183) is [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is NCc1cccc(OCc2csc(-c3ccsc3)n2)c1.
What is the InChIKey of [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is LIUGYHOBHAOREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c16-7-11-2-1-3-14(6-11)18-8-13-10-20-15(17-13)12-4-5-19-9-12/h1-6,9-10H,7-8,16H2.
What are the key properties of [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 302.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106485183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).