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

C13H20N4OS2 — CID 62754965

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)Cc2csc(C)n2)s1
InChIInChI=1S/C13H20N4OS2/c1-10-16-11(9-19-10)8-17(2)13-15-7-12(20-13)6-14-4-5-18-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyMHZULDNUDTXWEW-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.28
Rot. Bonds8

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

5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62754965) has the molecular formula C13H20N4OS2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62754965
Molecular FormulaC13H20N4OS2
Molecular Weight312.46 g/mol
Exact Mass312.11
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)Cc2csc(C)n2)s1
InChIInChI=1S/C13H20N4OS2/c1-10-16-11(9-19-10)8-17(2)13-15-7-12(20-13)6-14-4-5-18-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyMHZULDNUDTXWEW-UHFFFAOYSA-N
XLogP2.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62750633
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401302
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79490864
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 62753971
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62767681
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 62754965) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine is COCCNCc1cnc(N(C)Cc2csc(C)n2)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MHZULDNUDTXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS2/c1-10-16-11(9-19-10)8-17(2)13-15-7-12(20-13)6-14-4-5-18-3/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 312.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62754965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).