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

C13H22F3N3OS — CID 62768547

IUPAC5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C)c(CNCCOC)s1
InChIInChI=1S/C13H22F3N3OS/c1-4-6-19(9-13(14,15)16)12-18-10(2)11(21-12)8-17-5-7-20-3/h17H,4-9H2,1-3H3
InChIKeyDQXHGMCKGDCNSU-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.97
Rot. Bonds9

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

5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768547) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768547
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C)c(CNCCOC)s1
InChIInChI=1S/C13H22F3N3OS/c1-4-6-19(9-13(14,15)16)12-18-10(2)11(21-12)8-17-5-7-20-3/h17H,4-9H2,1-3H3
InChIKeyDQXHGMCKGDCNSU-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768547) is 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(C)c(CNCCOC)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is DQXHGMCKGDCNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-4-6-19(9-13(14,15)16)12-18-10(2)11(21-12)8-17-5-7-20-3/h17H,4-9H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 325.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).