2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C14H18N2O2S — CID 60696576

IUPAC2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCOc1ccc(OCC)c(NCc2cscn2)c1
InChIInChI=1S/C14H18N2O2S/c1-3-17-12-5-6-14(18-4-2)13(7-12)15-8-11-9-19-10-16-11/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyFKLDMRIOXGWFSZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.55
Rot. Bonds7

About 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline

2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60696576) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60696576
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCOc1ccc(OCC)c(NCc2cscn2)c1
InChIInChI=1S/C14H18N2O2S/c1-3-17-12-5-6-14(18-4-2)13(7-12)15-8-11-9-19-10-16-11/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyFKLDMRIOXGWFSZ-UHFFFAOYSA-N
XLogP3.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
3-bromo-5-chloro-2-ethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169650
5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CID 16769568
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
CID 43524683
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,5-diethoxyaniline
CID 102830232
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
(2,5-diethoxyphenyl)hydrazine
CID 119006370
5-[(2,5-diethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743463
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60696576) is 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline is CCOc1ccc(OCC)c(NCc2cscn2)c1.
What is the InChIKey of 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is FKLDMRIOXGWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-17-12-5-6-14(18-4-2)13(7-12)15-8-11-9-19-10-16-11/h5-7,9-10,15H,3-4,8H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 278.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60696576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).