2-methylaniline;1,3-thiazole

C10H12N2S — CID 23459362

IUPAC2-methylaniline;1,3-thiazole
SMILESCc1ccccc1N.c1cscn1
InChIInChI=1S/C7H9N.C3H3NS/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1/h2-5H,8H2,1H3;1-3H
InChIKeyGYNODXWLQDGZLI-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.72
Rot. Bonds

About 2-methylaniline;1,3-thiazole

2-methylaniline;1,3-thiazole (PubChem CID 23459362) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-methylaniline;1,3-thiazole.

Molecular Properties

Compound Name2-methylaniline;1,3-thiazole
PubChem CID23459362
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-methylaniline;1,3-thiazole
SMILESCc1ccccc1N.c1cscn1
InChIInChI=1S/C7H9N.C3H3NS/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1/h2-5H,8H2,1H3;1-3H
InChIKeyGYNODXWLQDGZLI-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylaniline;1,3-thiazole?
The IUPAC name of 2-methylaniline;1,3-thiazole (CID 23459362) is 2-methylaniline;1,3-thiazole.
What is the SMILES notation for 2-methylaniline;1,3-thiazole?
The canonical SMILES for 2-methylaniline;1,3-thiazole is Cc1ccccc1N.c1cscn1.
What is the InChIKey of 2-methylaniline;1,3-thiazole?
The InChIKey is GYNODXWLQDGZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H3NS/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1/h2-5H,8H2,1H3;1-3H.
What are the key properties of 2-methylaniline;1,3-thiazole?
2-methylaniline;1,3-thiazole has a molecular weight of 192.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;1,3-thiazole is sourced from PubChem (CID 23459362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).