N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

C11H18N2OS — CID 60983006

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ncc(CNCC2CCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-6-9-4-3-5-14-9/h8-9,12H,2-7H2,1H3
InChIKeyVBZJIFMNEDGGCG-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 60983006) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID60983006
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ncc(CNCC2CCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-6-9-4-3-5-14-9/h8-9,12H,2-7H2,1H3
InChIKeyVBZJIFMNEDGGCG-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.97
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-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 60983006) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is CCc1ncc(CNCC2CCCO2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is VBZJIFMNEDGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-6-9-4-3-5-14-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.97, 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-5-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 60983006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).