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'}

Analyze 4-(1,3-thiazol-5-ylmethoxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(phenylmethoxymethyl)aniline
CID 11701294
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
CID 79765516
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
1,3-thiazol-5-ylmethyl N-[3-hydroxy-1-phenyl-4-(phenylmethoxycarbonylamino)butan-2-yl]carbamate
CID 68973508
1,3-thiazol-5-ylmethyl N-[(4-phenylphenyl)methyl]-N-[3-[(4-phenylphenyl)methyl-(1,3-thiazol-5-ylmethoxycarbonyl)amino]propyl]carbamate
CID 25094387
4-[(5-iodopyrimidin-2-yl)oxymethyl]aniline
CID 116648488
4-(2,2-difluoroethoxymethyl)aniline
CID 60921613
[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105195489

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).