2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol

C11H20N2O2S — CID 75425341

IUPAC2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCOCc1nc(CN(CCO)C(C)C)cs1
InChIInChI=1S/C11H20N2O2S/c1-9(2)13(4-5-14)6-10-8-16-11(12-10)7-15-3/h8-9,14H,4-7H2,1-3H3
InChIKeyKYCOSAJXYJXMSZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.49
Rot. Bonds7

About 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol

2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 75425341) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol
PubChem CID75425341
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCOCc1nc(CN(CCO)C(C)C)cs1
InChIInChI=1S/C11H20N2O2S/c1-9(2)13(4-5-14)6-10-8-16-11(12-10)7-15-3/h8-9,14H,4-7H2,1-3H3
InChIKeyKYCOSAJXYJXMSZ-UHFFFAOYSA-N
XLogP1.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol (CID 75425341) is 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol is COCc1nc(CN(CCO)C(C)C)cs1.
What is the InChIKey of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is KYCOSAJXYJXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(2)13(4-5-14)6-10-8-16-11(12-10)7-15-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol?
2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 244.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 75425341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).