2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol

C9H15NO2S — CID 112645394

IUPAC2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
SMILESCCC(CO)(CO)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-2-9(5-11,6-12)3-8-4-10-7-13-8/h4,7,11-12H,2-3,5-6H2,1H3
InChIKeyCPZYQVFELOBHMV-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.07
Rot. Bonds5

About 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol

2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol (PubChem CID 112645394) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
PubChem CID112645394
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
SMILESCCC(CO)(CO)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-2-9(5-11,6-12)3-8-4-10-7-13-8/h4,7,11-12H,2-3,5-6H2,1H3
InChIKeyCPZYQVFELOBHMV-UHFFFAOYSA-N
XLogP1.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644117
2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112641782
2-ethyl-2-(1,3-thiazol-5-ylmethyl)hexanoic acid
CID 112641498
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid
CID 165462219
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
5-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 112645411
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
5-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1,3-thiazole
CID 112645432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol (CID 112645394) is 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol is CCC(CO)(CO)Cc1cncs1.
What is the InChIKey of 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The InChIKey is CPZYQVFELOBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-2-9(5-11,6-12)3-8-4-10-7-13-8/h4,7,11-12H,2-3,5-6H2,1H3.
What are the key properties of 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol has a molecular weight of 201.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 112645394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).