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

C12H20N2OS — CID 65328204

IUPACN-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-3-6-13-9(2)11-8-14-12(16-11)10-5-4-7-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFERLWNOBRVGCME-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.06
Rot. Bonds5

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

N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65328204) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID65328204
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-3-6-13-9(2)11-8-14-12(16-11)10-5-4-7-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFERLWNOBRVGCME-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 65328204) is N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CCCO2)s1.
What is the InChIKey of N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is FERLWNOBRVGCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-6-13-9(2)11-8-14-12(16-11)10-5-4-7-15-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65328204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).