4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine

C7H13N3OS — CID 114396487

IUPAC4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCON(C)CCc1csc(N)n1
InChIInChI=1S/C7H13N3OS/c1-10(11-2)4-3-6-5-12-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKWWLUGNLOFPMIZ-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.76
Rot. Bonds4

About 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 114396487) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID114396487
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCON(C)CCc1csc(N)n1
InChIInChI=1S/C7H13N3OS/c1-10(11-2)4-3-6-5-12-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKWWLUGNLOFPMIZ-UHFFFAOYSA-N
XLogP0.76
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[2-[methyl(thiolan-3-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482703
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine (CID 114396487) is 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine is CON(C)CCc1csc(N)n1.
What is the InChIKey of 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is KWWLUGNLOFPMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-10(11-2)4-3-6-5-12-7(8)9-6/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114396487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).