2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol

C11H18N2O2S — CID 107268247

IUPAC2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCc1nc(CNCC2(O)CCOC2C)cs1
InChIInChI=1S/C11H18N2O2S/c1-8-11(14,3-4-15-8)7-12-5-10-6-16-9(2)13-10/h6,8,12,14H,3-5,7H2,1-2H3
InChIKeyYUKINSYTHXHBGH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.08
Rot. Bonds4

About 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol

2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 107268247) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID107268247
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCc1nc(CNCC2(O)CCOC2C)cs1
InChIInChI=1S/C11H18N2O2S/c1-8-11(14,3-4-15-8)7-12-5-10-6-16-9(2)13-10/h6,8,12,14H,3-5,7H2,1-2H3
InChIKeyYUKINSYTHXHBGH-UHFFFAOYSA-N
XLogP1.08
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol with MolForge

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Related Compounds

1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
2-methyl-N-[[2-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114534992
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 107268247) is 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol is Cc1nc(CNCC2(O)CCOC2C)cs1.
What is the InChIKey of 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is YUKINSYTHXHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-11(14,3-4-15-8)7-12-5-10-6-16-9(2)13-10/h6,8,12,14H,3-5,7H2,1-2H3.
What are the key properties of 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 242.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107268247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).