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

C9H17N3O2S — CID 82710285

IUPAC5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCONCc1sc(N(C)C)nc1OC
InChIInChI=1S/C9H17N3O2S/c1-5-14-10-6-7-8(13-4)11-9(15-7)12(2)3/h10H,5-6H2,1-4H3
InChIKeyRWHOCJSIVQXLAG-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.26
Rot. Bonds6

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

5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 82710285) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID82710285
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCONCc1sc(N(C)C)nc1OC
InChIInChI=1S/C9H17N3O2S/c1-5-14-10-6-7-8(13-4)11-9(15-7)12(2)3/h10H,5-6H2,1-4H3
InChIKeyRWHOCJSIVQXLAG-UHFFFAOYSA-N
XLogP1.26
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 82710285) is 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is CCONCc1sc(N(C)C)nc1OC.
What is the InChIKey of 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RWHOCJSIVQXLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-14-10-6-7-8(13-4)11-9(15-7)12(2)3/h10H,5-6H2,1-4H3.
What are the key properties of 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82710285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).