2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline

C11H12N2OS2 — CID 61218917

IUPAC2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
SMILESCOc1ccc(CSc2nccs2)cc1N
InChIInChI=1S/C11H12N2OS2/c1-14-10-3-2-8(6-9(10)12)7-16-11-13-4-5-15-11/h2-6H,7,12H2,1H3
InChIKeyUFXPTAIMFJIRJL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.03
Rot. Bonds4

About 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline

2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline (PubChem CID 61218917) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
PubChem CID61218917
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
SMILESCOc1ccc(CSc2nccs2)cc1N
InChIInChI=1S/C11H12N2OS2/c1-14-10-3-2-8(6-9(10)12)7-16-11-13-4-5-15-11/h2-6H,7,12H2,1H3
InChIKeyUFXPTAIMFJIRJL-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 65341846
2-amino-4-(1,3-thiazol-2-ylsulfanylmethyl)phenol
CID 61219884
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
[4-methoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]boronic acid
CID 54969132
N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61218167
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methoxyaniline
CID 43153045
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
1-(3-chloro-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 61218742
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazole
CID 60553360
2-fluoro-5-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 103758889
5-chloro-2-(1,3-thiazol-2-ylsulfanylmethyl)aniline
CID 62101108

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline?
The IUPAC name of 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline (CID 61218917) is 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline.
What is the SMILES notation for 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline?
The canonical SMILES for 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline is COc1ccc(CSc2nccs2)cc1N.
What is the InChIKey of 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline?
The InChIKey is UFXPTAIMFJIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-14-10-3-2-8(6-9(10)12)7-16-11-13-4-5-15-11/h2-6H,7,12H2,1H3.
What are the key properties of 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline?
2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline is sourced from PubChem (CID 61218917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).