4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol

C14H24N2O2S — CID 114952911

IUPAC4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
SMILESCCCc1nc(CN(C)CC2(O)CCOCC2)cs1
InChIInChI=1S/C14H24N2O2S/c1-3-4-13-15-12(10-19-13)9-16(2)11-14(17)5-7-18-8-6-14/h10,17H,3-9,11H2,1-2H3
InChIKeyWDCMRWIAVPYBPU-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.07
Rot. Bonds6

About 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol

4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol (PubChem CID 114952911) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
PubChem CID114952911
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
SMILESCCCc1nc(CN(C)CC2(O)CCOCC2)cs1
InChIInChI=1S/C14H24N2O2S/c1-3-4-13-15-12(10-19-13)9-16(2)11-14(17)5-7-18-8-6-14/h10,17H,3-9,11H2,1-2H3
InChIKeyWDCMRWIAVPYBPU-UHFFFAOYSA-N
XLogP2.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
CID 114948813
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758448
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86919880
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63265394

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol (CID 114952911) is 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol is CCCc1nc(CN(C)CC2(O)CCOCC2)cs1.
What is the InChIKey of 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol?
The InChIKey is WDCMRWIAVPYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-4-13-15-12(10-19-13)9-16(2)11-14(17)5-7-18-8-6-14/h10,17H,3-9,11H2,1-2H3.
What are the key properties of 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol has a molecular weight of 284.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).