N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C12H20N2OS — CID 61281448

IUPACN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(CC2CCCO2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)13-7-10-8-16-12(14-10)6-11-4-3-5-15-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyLCUPVRJUFBDQDA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.36
Rot. Bonds5

About N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 61281448) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID61281448
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(CC2CCCO2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)13-7-10-8-16-12(14-10)6-11-4-3-5-15-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyLCUPVRJUFBDQDA-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 61281448) is N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(CC2CCCO2)n1.
What is the InChIKey of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is LCUPVRJUFBDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)13-7-10-8-16-12(14-10)6-11-4-3-5-15-11/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61281448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).