N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine

C13H25N5S — CID 106324569

IUPACN,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNCCN2CCSCC2)n1C
InChIInChI=1S/C13H25N5S/c1-16(2)13-15-11-12(17(13)3)10-14-4-5-18-6-8-19-9-7-18/h11,14H,4-10H2,1-3H3
InChIKeySZHKIYFCGIVUGM-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.62
Rot. Bonds6

About N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine

N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine (PubChem CID 106324569) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
PubChem CID106324569
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC NameN,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNCCN2CCSCC2)n1C
InChIInChI=1S/C13H25N5S/c1-16(2)13-15-11-12(17(13)3)10-14-4-5-18-6-8-19-9-7-18/h11,14H,4-10H2,1-3H3
InChIKeySZHKIYFCGIVUGM-UHFFFAOYSA-N
XLogP0.62
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine (CID 106324569) is N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine is CN(C)c1ncc(CNCCN2CCSCC2)n1C.
What is the InChIKey of N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine?
The InChIKey is SZHKIYFCGIVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-16(2)13-15-11-12(17(13)3)10-14-4-5-18-6-8-19-9-7-18/h11,14H,4-10H2,1-3H3.
What are the key properties of N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine?
N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine is sourced from PubChem (CID 106324569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).