N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C12H19F3N2OS — CID 106785122

IUPACN-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCCOCCC(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2OS/c1-3-6-18-7-5-9(16-4-2)10-8-17-11(19-10)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyFVHXTBYKNMNDJY-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.63
Rot. Bonds8

About N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106785122) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106785122
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCCOCCC(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2OS/c1-3-6-18-7-5-9(16-4-2)10-8-17-11(19-10)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyFVHXTBYKNMNDJY-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 60982523
4,4,4-trifluoro-N-methyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80476984
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80477857
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80478980
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103082659
1-(1,3-Thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148136
N-methyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148397
N-ethyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148608
N-propyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148763
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149034
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149364
4-(2,2-difluoroethoxy)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106785122) is N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CCCOCCC(NCC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is FVHXTBYKNMNDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-3-6-18-7-5-9(16-4-2)10-8-17-11(19-10)12(13,14)15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 296.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106785122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).