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

C10H10N2OS — CID 130593160

IUPAC3-(2-methoxy-1,3-thiazol-5-yl)aniline
SMILESCOc1ncc(-c2cccc(N)c2)s1
InChIInChI=1S/C10H10N2OS/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3
InChIKeyURCXJXUQHOWTTI-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.40
Rot. Bonds2

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

3-(2-methoxy-1,3-thiazol-5-yl)aniline (PubChem CID 130593160) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(2-methoxy-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name3-(2-methoxy-1,3-thiazol-5-yl)aniline
PubChem CID130593160
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-(2-methoxy-1,3-thiazol-5-yl)aniline
SMILESCOc1ncc(-c2cccc(N)c2)s1
InChIInChI=1S/C10H10N2OS/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3
InChIKeyURCXJXUQHOWTTI-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-1,3-thiazol-5-yl)aniline?
The IUPAC name of 3-(2-methoxy-1,3-thiazol-5-yl)aniline (CID 130593160) is 3-(2-methoxy-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 3-(2-methoxy-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 3-(2-methoxy-1,3-thiazol-5-yl)aniline is COc1ncc(-c2cccc(N)c2)s1.
What is the InChIKey of 3-(2-methoxy-1,3-thiazol-5-yl)aniline?
The InChIKey is URCXJXUQHOWTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3.
What are the key properties of 3-(2-methoxy-1,3-thiazol-5-yl)aniline?
3-(2-methoxy-1,3-thiazol-5-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 3-(2-methoxy-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 130593160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).