1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol

C13H24N2O2S — CID 55112228

IUPAC1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCC(CC)N(CCOC)c1ncc(C(C)O)s1
InChIInChI=1S/C13H24N2O2S/c1-5-11(6-2)15(7-8-17-4)13-14-9-12(18-13)10(3)16/h9-11,16H,5-8H2,1-4H3
InChIKeyHKDNFTWYVPVOOD-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.84
Rot. Bonds8

About 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55112228) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55112228
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCC(CC)N(CCOC)c1ncc(C(C)O)s1
InChIInChI=1S/C13H24N2O2S/c1-5-11(6-2)15(7-8-17-4)13-14-9-12(18-13)10(3)16/h9-11,16H,5-8H2,1-4H3
InChIKeyHKDNFTWYVPVOOD-UHFFFAOYSA-N
XLogP2.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Morpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 24229673
2,2,2-Trifluoro-1-(2-morpholinothiazol-5-yl)ethanol
CID 67401740
1-[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112080
1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
CID 55140587
1-[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752654
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753171
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753515
1-[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753684
1-[2-[Methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 65532123
1-[2-[2,2-Difluoroethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 116318311
[2-[Methyl-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]amino]-1,3-thiazol-5-yl]methanol
CID 147260413
1-[2-(3-Fluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 164657850

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 55112228) is 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol is CCC(CC)N(CCOC)c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is HKDNFTWYVPVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-11(6-2)15(7-8-17-4)13-14-9-12(18-13)10(3)16/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 272.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).