2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile

C13H13N3OS — CID 113472184

IUPAC2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1csc(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-15-12(8-18-9)11(7-14)16-10-5-3-4-6-13(10)17-2/h3-6,8,11,16H,1-2H3
InChIKeyDUUBBODSJCFOBN-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile

2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile (PubChem CID 113472184) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
PubChem CID113472184
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1csc(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-15-12(8-18-9)11(7-14)16-10-5-3-4-6-13(10)17-2/h3-6,8,11,16H,1-2H3
InChIKeyDUUBBODSJCFOBN-UHFFFAOYSA-N
XLogP3.14
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitroaniline
CID 43717813
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile (CID 113472184) is 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile is COc1ccccc1NC(C#N)c1csc(C)n1.
What is the InChIKey of 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile?
The InChIKey is DUUBBODSJCFOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-15-12(8-18-9)11(7-14)16-10-5-3-4-6-13(10)17-2/h3-6,8,11,16H,1-2H3.
What are the key properties of 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile?
2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile is sourced from PubChem (CID 113472184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).