4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

C13H16N2OS — CID 78992505

IUPAC4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCOc1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2OS/c1-3-16-12-6-4-11(5-7-12)14-8-13-15-10(2)9-17-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMUZXJJPTJZGJQR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.46
Rot. Bonds5

About 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 78992505) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID78992505
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCOc1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2OS/c1-3-16-12-6-4-11(5-7-12)14-8-13-15-10(2)9-17-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMUZXJJPTJZGJQR-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688032
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
3-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-nitroaniline
CID 80725077
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
4-propoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656225
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 78992505) is 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is CCOc1ccc(NCc2nc(C)cs2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is MUZXJJPTJZGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-12-6-4-11(5-7-12)14-8-13-15-10(2)9-17-13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 248.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 78992505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).