(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

C13H22N2OS — CID 99821207

IUPAC(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN[C@H](C)[C@H]2CCCO2)cs1
InChIInChI=1S/C13H22N2OS/c1-3-5-13-15-11(9-17-13)8-14-10(2)12-6-4-7-16-12/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyVNPQPSBOJZHYCA-ZYHUDNBSSA-N
MW254.40 g/mol
LogP2.75
Rot. Bonds6

About (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 99821207) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID99821207
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN[C@H](C)[C@H]2CCCO2)cs1
InChIInChI=1S/C13H22N2OS/c1-3-5-13-15-11(9-17-13)8-14-10(2)12-6-4-7-16-12/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyVNPQPSBOJZHYCA-ZYHUDNBSSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238624
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
CID 95567925
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 82893205
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 99821207) is (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is CCCc1nc(CN[C@H](C)[C@H]2CCCO2)cs1.
What is the InChIKey of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is VNPQPSBOJZHYCA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-5-13-15-11(9-17-13)8-14-10(2)12-6-4-7-16-12/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 99821207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).