2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

C13H16N2OS — CID 115928988

IUPAC2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1cscn1
InChIInChI=1S/C13H16N2OS/c1-10(13-8-17-9-14-13)15-12-6-4-3-5-11(12)7-16-2/h3-6,8-10,15H,7H2,1-2H3
InChIKeyQQHWZUKBTJWZPR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.46
Rot. Bonds5

About 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 115928988) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
PubChem CID115928988
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCOCc1ccccc1NC(C)c1cscn1
InChIInChI=1S/C13H16N2OS/c1-10(13-8-17-9-14-13)15-12-6-4-3-5-11(12)7-16-2/h3-6,8-10,15H,7H2,1-2H3
InChIKeyQQHWZUKBTJWZPR-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

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Related Compounds

2-(diethylaminomethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928997
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
2-morpholin-4-yl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115925823
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
2-chloro-4,5-dimethoxy-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115923135
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (CID 115928988) is 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is COCc1ccccc1NC(C)c1cscn1.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is QQHWZUKBTJWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(13-8-17-9-14-13)15-12-6-4-3-5-11(12)7-16-2/h3-6,8-10,15H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]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 2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 115928988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).