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

C15H26N2OS — CID 99777451

IUPAC(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
SMILESCC[C@@](C)(NCC[C@H]1CCCCO1)c1nc(C)cs1
InChIInChI=1S/C15H26N2OS/c1-4-15(3,14-17-12(2)11-19-14)16-9-8-13-7-5-6-10-18-13/h11,13,16H,4-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyQQIAVNYMQSXZIM-UKRRQHHQSA-N
MW282.45 g/mol
LogP3.63
Rot. Bonds6

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

(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine (PubChem CID 99777451) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
PubChem CID99777451
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
SMILESCC[C@@](C)(NCC[C@H]1CCCCO1)c1nc(C)cs1
InChIInChI=1S/C15H26N2OS/c1-4-15(3,14-17-12(2)11-19-14)16-9-8-13-7-5-6-10-18-13/h11,13,16H,4-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyQQIAVNYMQSXZIM-UKRRQHHQSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine with MolForge

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236
(2S)-N-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 95783833
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
CID 96519843
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine?
The IUPAC name of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine (CID 99777451) is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine.
What is the SMILES notation for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine?
The canonical SMILES for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine is CC[C@@](C)(NCC[C@H]1CCCCO1)c1nc(C)cs1.
What is the InChIKey of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine?
The InChIKey is QQIAVNYMQSXZIM-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-15(3,14-17-12(2)11-19-14)16-9-8-13-7-5-6-10-18-13/h11,13,16H,4-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine?
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine is sourced from PubChem (CID 99777451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).