N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine

C12H20N2OS — CID 103911030

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
SMILESCCc1cnc(CNC2CCOC(C)C2)s1
InChIInChI=1S/C12H20N2OS/c1-3-11-7-14-12(16-11)8-13-10-4-5-15-9(2)6-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyDADCNBCOTSMFJX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.36
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine (PubChem CID 103911030) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
PubChem CID103911030
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
SMILESCCc1cnc(CNC2CCOC(C)C2)s1
InChIInChI=1S/C12H20N2OS/c1-3-11-7-14-12(16-11)8-13-10-4-5-15-9(2)6-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyDADCNBCOTSMFJX-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 115724910
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 113350821

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine (CID 103911030) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine is CCc1cnc(CNC2CCOC(C)C2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine?
The InChIKey is DADCNBCOTSMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-11-7-14-12(16-11)8-13-10-4-5-15-9(2)6-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine has a molecular weight of 240.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).