N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

C14H18N2O2S — CID 55233873

IUPACN-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC(CNc1cccc(-c2csc(C)n2)c1)OC
InChIInChI=1S/C14H18N2O2S/c1-10-16-13(9-19-10)11-5-4-6-12(7-11)15-8-14(17-2)18-3/h4-7,9,14-15H,8H2,1-3H3
InChIKeyJWNDXLNSFSVOGO-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.15
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 55233873) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID55233873
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC(CNc1cccc(-c2csc(C)n2)c1)OC
InChIInChI=1S/C14H18N2O2S/c1-10-16-13(9-19-10)11-5-4-6-12(7-11)15-8-14(17-2)18-3/h4-7,9,14-15H,8H2,1-3H3
InChIKeyJWNDXLNSFSVOGO-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714289
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 55233873) is N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is COC(CNc1cccc(-c2csc(C)n2)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is JWNDXLNSFSVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-16-13(9-19-10)11-5-4-6-12(7-11)15-8-14(17-2)18-3/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 278.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 55233873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).