5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C15H21N3O2S — CID 43665074

IUPAC5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(NCc2sc(N(C)C)nc2OC)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-20-12-8-6-11(7-9-12)16-10-13-14(19-4)17-15(21-13)18(2)3/h6-9,16H,5,10H2,1-4H3
InChIKeyACSMWVGBVSXNMW-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.23
Rot. Bonds7

About 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 43665074) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID43665074
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(NCc2sc(N(C)C)nc2OC)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-20-12-8-6-11(7-9-12)16-10-13-14(19-4)17-15(21-13)18(2)3/h6-9,16H,5,10H2,1-4H3
InChIKeyACSMWVGBVSXNMW-UHFFFAOYSA-N
XLogP3.23
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 79055525
5-[(5-bromo-2-chloroanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 62915754
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
4-methoxy-N,N-dimethyl-5-[[(3-methylphenyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43433391
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43746141
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43703306

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 43665074) is 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is CCOc1ccc(NCc2sc(N(C)C)nc2OC)cc1.
What is the InChIKey of 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ACSMWVGBVSXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-20-12-8-6-11(7-9-12)16-10-13-14(19-4)17-15(21-13)18(2)3/h6-9,16H,5,10H2,1-4H3.
What are the key properties of 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 307.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43665074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).