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

C14H18N2OS — CID 116773982

IUPAC4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCCC(C)(OC)c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-4-14(2,17-3)13-16-12(9-18-13)10-5-7-11(15)8-6-10/h5-9H,4,15H2,1-3H3
InChIKeyWAYJMWMUMDRPIY-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.66
Rot. Bonds4

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

4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 116773982) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
PubChem CID116773982
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCCC(C)(OC)c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-4-14(2,17-3)13-16-12(9-18-13)10-5-7-11(15)8-6-10/h5-9H,4,15H2,1-3H3
InChIKeyWAYJMWMUMDRPIY-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline (CID 116773982) is 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline is CCC(C)(OC)c1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is WAYJMWMUMDRPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-14(2,17-3)13-16-12(9-18-13)10-5-7-11(15)8-6-10/h5-9H,4,15H2,1-3H3.
What are the key properties of 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline?
4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 116773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).