N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine

C12H23N3OS — CID 55117456

IUPACN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC)sc1CNCCOC
InChIInChI=1S/C12H23N3OS/c1-5-10-11(9-13-7-8-16-4)17-12(14-10)15(3)6-2/h13H,5-9H2,1-4H3
InChIKeyUZDXIWQVKHZMKZ-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.90
Rot. Bonds8

About N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine

N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 55117456) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID55117456
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC)sc1CNCCOC
InChIInChI=1S/C12H23N3OS/c1-5-10-11(9-13-7-8-16-4)17-12(14-10)15(3)6-2/h13H,5-9H2,1-4H3
InChIKeyUZDXIWQVKHZMKZ-UHFFFAOYSA-N
XLogP1.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62767681
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 107510681
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62768940
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63864245
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107510440

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine (CID 55117456) is N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)CC)sc1CNCCOC.
What is the InChIKey of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UZDXIWQVKHZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-10-11(9-13-7-8-16-4)17-12(14-10)15(3)6-2/h13H,5-9H2,1-4H3.
What are the key properties of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine?
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55117456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).