2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol

C8H14N2O2S — CID 107866128

IUPAC2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nccs1
InChIInChI=1S/C8H14N2O2S/c1-2-8(5-11,6-12)10-7-9-3-4-13-7/h3-4,11-12H,2,5-6H2,1H3,(H,9,10)
InChIKeyHKSHUVKFFKQKIE-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.69
Rot. Bonds5

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

2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol (PubChem CID 107866128) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
PubChem CID107866128
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nccs1
InChIInChI=1S/C8H14N2O2S/c1-2-8(5-11,6-12)10-7-9-3-4-13-7/h3-4,11-12H,2,5-6H2,1H3,(H,9,10)
InChIKeyHKSHUVKFFKQKIE-UHFFFAOYSA-N
XLogP0.69
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
CID 106172156
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
CID 2264258
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866027

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol (CID 107866128) is 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol is CCC(CO)(CO)Nc1nccs1.
What is the InChIKey of 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol?
The InChIKey is HKSHUVKFFKQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-8(5-11,6-12)10-7-9-3-4-13-7/h3-4,11-12H,2,5-6H2,1H3,(H,9,10).
What are the key properties of 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol?
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol has a molecular weight of 202.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 107866128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).