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

C15H26N2OS — CID 55241841

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)C2CCCOC2)sc1C
InChIInChI=1S/C15H26N2OS/c1-5-13-11(4)19-15(17-13)14(16-10(2)3)12-7-6-8-18-9-12/h10,12,14,16H,5-9H2,1-4H3
InChIKeyMQOUVESAKGULPD-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.48
Rot. Bonds5

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

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine (PubChem CID 55241841) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
PubChem CID55241841
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)C2CCCOC2)sc1C
InChIInChI=1S/C15H26N2OS/c1-5-13-11(4)19-15(17-13)14(16-10(2)3)12-7-6-8-18-9-12/h10,12,14,16H,5-9H2,1-4H3
InChIKeyMQOUVESAKGULPD-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385435
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
CID 61334675
(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
CID 63739540
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
(2S)-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-oxo-4-[(2R)-oxolan-2-yl]butanenitrile
CID 94194525
N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66141042
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine (CID 55241841) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine is CCc1nc(C(NC(C)C)C2CCCOC2)sc1C.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine?
The InChIKey is MQOUVESAKGULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-13-11(4)19-15(17-13)14(16-10(2)3)12-7-6-8-18-9-12/h10,12,14,16H,5-9H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 55241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).