2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol

C11H18N2O2S — CID 116969214

IUPAC2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESNC(CO)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C11H18N2O2S/c12-9(6-14)5-11-13-10(7-16-11)8-1-3-15-4-2-8/h7-9,14H,1-6,12H2
InChIKeyZKOIYDJCNZMVNR-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol

2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 116969214) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID116969214
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESNC(CO)Cc1nc(C2CCOCC2)cs1
InChIInChI=1S/C11H18N2O2S/c12-9(6-14)5-11-13-10(7-16-11)8-1-3-15-4-2-8/h7-9,14H,1-6,12H2
InChIKeyZKOIYDJCNZMVNR-UHFFFAOYSA-N
XLogP0.90
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969790
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967274
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968802
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968368
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965749
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966698

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 116969214) is 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol is NC(CO)Cc1nc(C2CCOCC2)cs1.
What is the InChIKey of 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is ZKOIYDJCNZMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-9(6-14)5-11-13-10(7-16-11)8-1-3-15-4-2-8/h7-9,14H,1-6,12H2.
What are the key properties of 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol?
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 242.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 116969214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).