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

C13H22N2OS — CID 82838748

IUPACN-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCC(C)O2)s1
InChIInChI=1S/C13H22N2OS/c1-4-7-14-10(3)12-8-15-13(17-12)11-6-5-9(2)16-11/h8-11,14H,4-7H2,1-3H3
InChIKeyQMRHMMGEUNGDMM-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.44
Rot. Bonds5

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

N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 82838748) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID82838748
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCC(C)O2)s1
InChIInChI=1S/C13H22N2OS/c1-4-7-14-10(3)12-8-15-13(17-12)11-6-5-9(2)16-11/h8-11,14H,4-7H2,1-3H3
InChIKeyQMRHMMGEUNGDMM-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 82838748) is N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CCC(C)O2)s1.
What is the InChIKey of N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QMRHMMGEUNGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-7-14-10(3)12-8-15-13(17-12)11-6-5-9(2)16-11/h8-11,14H,4-7H2,1-3H3.
What are the key properties of N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82838748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).