4-(1,3-thiazol-5-ylmethoxymethyl)aniline

C11H12N2OS — CID 112640171

IUPAC4-(1,3-thiazol-5-ylmethoxymethyl)aniline
SMILESNc1ccc(COCc2cncs2)cc1
InChIInChI=1S/C11H12N2OS/c12-10-3-1-9(2-4-10)6-14-7-11-5-13-8-15-11/h1-5,8H,6-7,12H2
InChIKeyVMRMNDKZWQKIOI-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.44
Rot. Bonds4

About 4-(1,3-thiazol-5-ylmethoxymethyl)aniline

4-(1,3-thiazol-5-ylmethoxymethyl)aniline (PubChem CID 112640171) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-ylmethoxymethyl)aniline.

Molecular Properties

Compound Name4-(1,3-thiazol-5-ylmethoxymethyl)aniline
PubChem CID112640171
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(1,3-thiazol-5-ylmethoxymethyl)aniline
SMILESNc1ccc(COCc2cncs2)cc1
InChIInChI=1S/C11H12N2OS/c12-10-3-1-9(2-4-10)6-14-7-11-5-13-8-15-11/h1-5,8H,6-7,12H2
InChIKeyVMRMNDKZWQKIOI-UHFFFAOYSA-N
XLogP2.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-ylmethoxymethyl)aniline?
The IUPAC name of 4-(1,3-thiazol-5-ylmethoxymethyl)aniline (CID 112640171) is 4-(1,3-thiazol-5-ylmethoxymethyl)aniline.
What is the SMILES notation for 4-(1,3-thiazol-5-ylmethoxymethyl)aniline?
The canonical SMILES for 4-(1,3-thiazol-5-ylmethoxymethyl)aniline is Nc1ccc(COCc2cncs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-5-ylmethoxymethyl)aniline?
The InChIKey is VMRMNDKZWQKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-10-3-1-9(2-4-10)6-14-7-11-5-13-8-15-11/h1-5,8H,6-7,12H2.
What are the key properties of 4-(1,3-thiazol-5-ylmethoxymethyl)aniline?
4-(1,3-thiazol-5-ylmethoxymethyl)aniline has a molecular weight of 220.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-ylmethoxymethyl)aniline is sourced from PubChem (CID 112640171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).