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

C13H19F3N2OS — CID 106783034

IUPACN-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2OS/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyOMGJUHZZHZKETA-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.77
Rot. Bonds6

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

N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106783034) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106783034
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2OS/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyOMGJUHZZHZKETA-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106783034) is N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is OMGJUHZZHZKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h8-10,17H,2-7H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106783034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).