N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline

C14H18N2OS — CID 113268236

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
SMILESCCc1ncc(CNc2cc(OC)ccc2C)s1
InChIInChI=1S/C14H18N2OS/c1-4-14-16-9-12(18-14)8-15-13-7-11(17-3)6-5-10(13)2/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWBACNGBMFDTMJL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.63
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline (PubChem CID 113268236) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
PubChem CID113268236
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
SMILESCCc1ncc(CNc2cc(OC)ccc2C)s1
InChIInChI=1S/C14H18N2OS/c1-4-14-16-9-12(18-14)8-15-13-7-11(17-3)6-5-10(13)2/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWBACNGBMFDTMJL-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline 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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 54883669
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxybenzoic acid
CID 63742291
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-5-nitroaniline
CID 60983021
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxy-4-nitroaniline
CID 60982910
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline (CID 113268236) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline is CCc1ncc(CNc2cc(OC)ccc2C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline?
The InChIKey is WBACNGBMFDTMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-14-16-9-12(18-14)8-15-13-7-11(17-3)6-5-10(13)2/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline has a molecular weight of 262.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline is sourced from PubChem (CID 113268236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).