4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline

C13H14N2OS — CID 65329058

IUPAC4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(C3CCOC3)n2)cc1
InChIInChI=1S/C13H14N2OS/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-4,8,10H,5-7,14H2
InChIKeyPOOROHIGLUJVAB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.90
Rot. Bonds2

About 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline

4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 65329058) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline
PubChem CID65329058
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(C3CCOC3)n2)cc1
InChIInChI=1S/C13H14N2OS/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-4,8,10H,5-7,14H2
InChIKeyPOOROHIGLUJVAB-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
CID 112699838
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803070
4-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]aniline
CID 115998354
2-(oxan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803063
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115028049
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]aniline
CID 113448703
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole
CID 12798673
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline (CID 65329058) is 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(C3CCOC3)n2)cc1.
What is the InChIKey of 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is POOROHIGLUJVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-4,8,10H,5-7,14H2.
What are the key properties of 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline?
4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 246.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 65329058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).