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

C13H15ClN2OS — CID 115688093

IUPAC5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCOc1ccc(Cl)cc1NCc1nc(C)cs1
InChIInChI=1S/C13H15ClN2OS/c1-3-17-12-5-4-10(14)6-11(12)15-7-13-16-9(2)8-18-13/h4-6,8,15H,3,7H2,1-2H3
InChIKeyXWZRFKZPTZQBLP-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.12
Rot. Bonds5

About 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 115688093) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID115688093
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCOc1ccc(Cl)cc1NCc1nc(C)cs1
InChIInChI=1S/C13H15ClN2OS/c1-3-17-12-5-4-10(14)6-11(12)15-7-13-16-9(2)8-18-13/h4-6,8,15H,3,7H2,1-2H3
InChIKeyXWZRFKZPTZQBLP-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 113392589
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
2,5-dichloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115755781
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104853912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 115688093) is 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is CCOc1ccc(Cl)cc1NCc1nc(C)cs1.
What is the InChIKey of 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is XWZRFKZPTZQBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-3-17-12-5-4-10(14)6-11(12)15-7-13-16-9(2)8-18-13/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 282.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 115688093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).