4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol

C11H20N2O2S — CID 115656786

IUPAC4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCOCc1nc(CNCC(C)CCO)cs1
InChIInChI=1S/C11H20N2O2S/c1-9(3-4-14)5-12-6-10-8-16-11(13-10)7-15-2/h8-9,12,14H,3-7H2,1-2H3
InChIKeyFEZYWLCPWHGYJS-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.40
Rot. Bonds8

About 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol

4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 115656786) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
PubChem CID115656786
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCOCc1nc(CNCC(C)CCO)cs1
InChIInChI=1S/C11H20N2O2S/c1-9(3-4-14)5-12-6-10-8-16-11(13-10)7-15-2/h8-9,12,14H,3-7H2,1-2H3
InChIKeyFEZYWLCPWHGYJS-UHFFFAOYSA-N
XLogP1.40
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylbutan-1-amine
CID 115653163
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
CID 115671392
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 111122759
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 115654243
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103245634
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol (CID 115656786) is 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol is COCc1nc(CNCC(C)CCO)cs1.
What is the InChIKey of 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is FEZYWLCPWHGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(3-4-14)5-12-6-10-8-16-11(13-10)7-15-2/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol?
4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115656786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).