N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine

C12H20N2OS — CID 62350680

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCc1nc(CNCC2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)8-13-7-10-3-5-15-6-4-10/h9-10,13H,2-8H2,1H3
InChIKeyJBRNHHZWFVANEG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62350680) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID62350680
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCc1nc(CNCC2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)8-13-7-10-3-5-15-6-4-10/h9-10,13H,2-8H2,1H3
InChIKeyJBRNHHZWFVANEG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine (CID 62350680) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine is CCc1nc(CNCC2CCOCC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is JBRNHHZWFVANEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)8-13-7-10-3-5-15-6-4-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62350680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).