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

C10H10N2S — CID 12725132

IUPAC2-(1,3-thiazol-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1nccs1
InChIInChI=1S/C10H10N2S/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-6H,7,11H2
InChIKeyFMBPBHHQRWVKFT-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.32
Rot. Bonds2

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

2-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 12725132) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID12725132
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-(1,3-thiazol-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1nccs1
InChIInChI=1S/C10H10N2S/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-6H,7,11H2
InChIKeyFMBPBHHQRWVKFT-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 2-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-(1,3-thiazol-2-ylmethyl)aniline (CID 12725132) is 2-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethyl)aniline is Nc1ccccc1Cc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is FMBPBHHQRWVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-6H,7,11H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethyl)aniline?
2-(1,3-thiazol-2-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 2-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 12725132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).