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

C16H23N3OS — CID 110452190

IUPAC4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1csc(CCNc2ccc(OCCN(C)C)cc2)n1
InChIInChI=1S/C16H23N3OS/c1-13-12-21-16(18-13)8-9-17-14-4-6-15(7-5-14)20-11-10-19(2)3/h4-7,12,17H,8-11H2,1-3H3
InChIKeySYBFXGRRVWEGBG-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.05
Rot. Bonds8

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

4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 110452190) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID110452190
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1csc(CCNc2ccc(OCCN(C)C)cc2)n1
InChIInChI=1S/C16H23N3OS/c1-13-12-21-16(18-13)8-9-17-14-4-6-15(7-5-14)20-11-10-19(2)3/h4-7,12,17H,8-11H2,1-3H3
InChIKeySYBFXGRRVWEGBG-UHFFFAOYSA-N
XLogP3.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100659254
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
1,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-phenoxyethyl)guanidine
CID 111274481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (CID 110452190) is 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is Cc1csc(CCNc2ccc(OCCN(C)C)cc2)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is SYBFXGRRVWEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-12-21-16(18-13)8-9-17-14-4-6-15(7-5-14)20-11-10-19(2)3/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 305.45 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 110452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).