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

C15H20N2OS — CID 102847648

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1sc(C)nc1C
InChIInChI=1S/C15H20N2OS/c1-11-15(19-12(2)17-11)10-16-14-7-5-4-6-13(14)8-9-18-3/h4-7,16H,8-10H2,1-3H3
InChIKeyNWKMXNYKLMCNQE-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.56
Rot. Bonds6

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline (PubChem CID 102847648) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
PubChem CID102847648
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1sc(C)nc1C
InChIInChI=1S/C15H20N2OS/c1-11-15(19-12(2)17-11)10-16-14-7-5-4-6-13(14)8-9-18-3/h4-7,16H,8-10H2,1-3H3
InChIKeyNWKMXNYKLMCNQE-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxypyridin-3-amine
CID 75386237
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
CID 102905183

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline (CID 102847648) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline?
The InChIKey is NWKMXNYKLMCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-15(19-12(2)17-11)10-16-14-7-5-4-6-13(14)8-9-18-3/h4-7,16H,8-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline has a molecular weight of 276.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102847648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).