1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C14H22N2O2S — CID 94177798

IUPAC1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CN(C[C@H]2CCCO2)C[C@@H]2CCCO2)cs1
InChIInChI=1S/C14H22N2O2S/c1-3-13(17-5-1)8-16(7-12-10-19-11-15-12)9-14-4-2-6-18-14/h10-11,13-14H,1-9H2/t13-,14+
InChIKeyRPBCNDFXSHFUSM-OKILXGFUSA-N
MW282.41 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 94177798) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID94177798
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CN(C[C@H]2CCCO2)C[C@@H]2CCCO2)cs1
InChIInChI=1S/C14H22N2O2S/c1-3-13(17-5-1)8-16(7-12-10-19-11-15-12)9-14-4-2-6-18-14/h10-11,13-14H,1-9H2/t13-,14+
InChIKeyRPBCNDFXSHFUSM-OKILXGFUSA-N
XLogP2.30
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 95044295
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42522163

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 94177798) is 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is c1nc(CN(C[C@H]2CCCO2)C[C@@H]2CCCO2)cs1.
What is the InChIKey of 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is RPBCNDFXSHFUSM-OKILXGFUSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-13(17-5-1)8-16(7-12-10-19-11-15-12)9-14-4-2-6-18-14/h10-11,13-14H,1-9H2/t13-,14+.
What are the key properties of 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 282.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 94177798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).