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

C14H22N4OS2 — CID 62767681

IUPAC4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cscn2)sc1CNCCOC
InChIInChI=1S/C14H22N4OS2/c1-4-12-13(7-15-5-6-19-3)21-14(17-12)18(2)8-11-9-20-10-16-11/h9-10,15H,4-8H2,1-3H3
InChIKeyGHLAJBOGMMXERW-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.53
Rot. Bonds9

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

4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62767681) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62767681
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC Name4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cscn2)sc1CNCCOC
InChIInChI=1S/C14H22N4OS2/c1-4-12-13(7-15-5-6-19-3)21-14(17-12)18(2)8-11-9-20-10-16-11/h9-10,15H,4-8H2,1-3H3
InChIKeyGHLAJBOGMMXERW-UHFFFAOYSA-N
XLogP2.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
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
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 107510681
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62768940
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107510440
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63864245

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 62767681) is 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)Cc2cscn2)sc1CNCCOC.
What is the InChIKey of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GHLAJBOGMMXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-4-12-13(7-15-5-6-19-3)21-14(17-12)18(2)8-11-9-20-10-16-11/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 326.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).