3-(1,2-thiazol-5-ylmethyl)aniline

C10H10N2S — CID 57222258

IUPAC3-(1,2-thiazol-5-ylmethyl)aniline
SMILESNc1cccc(Cc2ccns2)c1
InChIInChI=1S/C10H10N2S/c11-9-3-1-2-8(6-9)7-10-4-5-12-13-10/h1-6H,7,11H2
InChIKeyGHVIFFGKXSMRBA-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.32
Rot. Bonds2

About 3-(1,2-thiazol-5-ylmethyl)aniline

3-(1,2-thiazol-5-ylmethyl)aniline (PubChem CID 57222258) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1,2-thiazol-5-ylmethyl)aniline
PubChem CID57222258
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-(1,2-thiazol-5-ylmethyl)aniline
SMILESNc1cccc(Cc2ccns2)c1
InChIInChI=1S/C10H10N2S/c11-9-3-1-2-8(6-9)7-10-4-5-12-13-10/h1-6H,7,11H2
InChIKeyGHVIFFGKXSMRBA-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.32
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 3-(1,2-thiazol-5-ylmethyl)aniline?
The IUPAC name of 3-(1,2-thiazol-5-ylmethyl)aniline (CID 57222258) is 3-(1,2-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-(1,2-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 3-(1,2-thiazol-5-ylmethyl)aniline is Nc1cccc(Cc2ccns2)c1.
What is the InChIKey of 3-(1,2-thiazol-5-ylmethyl)aniline?
The InChIKey is GHVIFFGKXSMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-9-3-1-2-8(6-9)7-10-4-5-12-13-10/h1-6H,7,11H2.
What are the key properties of 3-(1,2-thiazol-5-ylmethyl)aniline?
3-(1,2-thiazol-5-ylmethyl)aniline has a molecular weight of 190.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 57222258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).