2-methoxy-5-(1,2-thiazol-4-yl)aniline

C10H10N2OS — CID 164648705

IUPAC2-methoxy-5-(1,2-thiazol-4-yl)aniline
SMILESCOc1ccc(-c2cnsc2)cc1N
InChIInChI=1S/C10H10N2OS/c1-13-10-3-2-7(4-9(10)11)8-5-12-14-6-8/h2-6H,11H2,1H3
InChIKeyIJBJYLUTMMERPW-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.40
Rot. Bonds2

About 2-methoxy-5-(1,2-thiazol-4-yl)aniline

2-methoxy-5-(1,2-thiazol-4-yl)aniline (PubChem CID 164648705) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methoxy-5-(1,2-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(1,2-thiazol-4-yl)aniline
PubChem CID164648705
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-methoxy-5-(1,2-thiazol-4-yl)aniline
SMILESCOc1ccc(-c2cnsc2)cc1N
InChIInChI=1S/C10H10N2OS/c1-13-10-3-2-7(4-9(10)11)8-5-12-14-6-8/h2-6H,11H2,1H3
InChIKeyIJBJYLUTMMERPW-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 22646067
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CID 66278830
2-methoxy-5-(4-methyl-3-pyridinyl)aniline
CID 66272306
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058628
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
5-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394671
2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
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2-methoxy-5-(3-propylphenyl)aniline
CID 116545191

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,2-thiazol-4-yl)aniline?
The IUPAC name of 2-methoxy-5-(1,2-thiazol-4-yl)aniline (CID 164648705) is 2-methoxy-5-(1,2-thiazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(1,2-thiazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-5-(1,2-thiazol-4-yl)aniline is COc1ccc(-c2cnsc2)cc1N.
What is the InChIKey of 2-methoxy-5-(1,2-thiazol-4-yl)aniline?
The InChIKey is IJBJYLUTMMERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-13-10-3-2-7(4-9(10)11)8-5-12-14-6-8/h2-6H,11H2,1H3.
What are the key properties of 2-methoxy-5-(1,2-thiazol-4-yl)aniline?
2-methoxy-5-(1,2-thiazol-4-yl)aniline has a molecular weight of 206.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,2-thiazol-4-yl)aniline is sourced from PubChem (CID 164648705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).