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

C12H18F3N3OS — CID 62753564

IUPACN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H18F3N3OS/c1-19-5-4-16-6-10-7-17-11(20-10)18(9-2-3-9)8-12(13,14)15/h7,9,16H,2-6,8H2,1H3
InChIKeyZJQBMBAOBPBMKN-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.41
Rot. Bonds8

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

N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753564) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753564
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H18F3N3OS/c1-19-5-4-16-6-10-7-17-11(20-10)18(9-2-3-9)8-12(13,14)15/h7,9,16H,2-6,8H2,1H3
InChIKeyZJQBMBAOBPBMKN-UHFFFAOYSA-N
XLogP2.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.41
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 N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753564) is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1cnc(N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ZJQBMBAOBPBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-19-5-4-16-6-10-7-17-11(20-10)18(9-2-3-9)8-12(13,14)15/h7,9,16H,2-6,8H2,1H3.
What are the key properties of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).