2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline

C17H14N2OS — CID 79371581

IUPAC2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)-c1nc(-c3ccccc3N)sc1C2
InChIInChI=1S/C17H14N2OS/c1-20-11-7-6-10-8-15-16(13(10)9-11)19-17(21-15)12-4-2-3-5-14(12)18/h2-7,9H,8,18H2,1H3
InChIKeyAMTNMSLPYXSAEX-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds2

About 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline

2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline (PubChem CID 79371581) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline
PubChem CID79371581
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)-c1nc(-c3ccccc3N)sc1C2
InChIInChI=1S/C17H14N2OS/c1-20-11-7-6-10-8-15-16(13(10)9-11)19-17(21-15)12-4-2-3-5-14(12)18/h2-7,9H,8,18H2,1H3
InChIKeyAMTNMSLPYXSAEX-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
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 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline?
The IUPAC name of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline (CID 79371581) is 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline.
What is the SMILES notation for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline?
The canonical SMILES for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline is COc1ccc2c(c1)-c1nc(-c3ccccc3N)sc1C2.
What is the InChIKey of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline?
The InChIKey is AMTNMSLPYXSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-20-11-7-6-10-8-15-16(13(10)9-11)19-17(21-15)12-4-2-3-5-14(12)18/h2-7,9H,8,18H2,1H3.
What are the key properties of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline?
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline has a molecular weight of 294.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline is sourced from PubChem (CID 79371581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).