(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine

C13H18N4OS — CID 128976445

IUPAC(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CN[C@H]2CCO[C@@H]2c2nccn2C)cs1
InChIInChI=1S/C13H18N4OS/c1-9-16-10(8-19-9)7-15-11-3-6-18-12(11)13-14-4-5-17(13)2/h4-5,8,11-12,15H,3,6-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyVWMMHOOHYMKCCI-RYUDHWBXSA-N
MW278.38 g/mol
LogP1.80
Rot. Bonds4

About (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine

(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (PubChem CID 128976445) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
PubChem CID128976445
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CN[C@H]2CCO[C@@H]2c2nccn2C)cs1
InChIInChI=1S/C13H18N4OS/c1-9-16-10(8-19-9)7-15-11-3-6-18-12(11)13-14-4-5-17(13)2/h4-5,8,11-12,15H,3,6-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyVWMMHOOHYMKCCI-RYUDHWBXSA-N
XLogP1.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
(2S,3S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128992415
(2S,3S)-2-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128991372
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
CID 154738050
(2S,3S)-N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128980770
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128996194
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716
(2S,3S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128966874
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]oxan-3-amine
CID 128973094
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
CID 128976647

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (CID 128976445) is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is Cc1nc(CN[C@H]2CCO[C@@H]2c2nccn2C)cs1.
What is the InChIKey of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is VWMMHOOHYMKCCI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-16-10(8-19-9)7-15-11-3-6-18-12(11)13-14-4-5-17(13)2/h4-5,8,11-12,15H,3,6-7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 278.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 128976445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).