1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol

C10H14ClNO2S — CID 107124812

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ncc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)4-3-7-2-1-5-14-7/h6-8,13H,1-5H2
InChIKeyYICSBEYOWSTMCN-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.79
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 107124812) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID107124812
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ncc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)4-3-7-2-1-5-14-7/h6-8,13H,1-5H2
InChIKeyYICSBEYOWSTMCN-UHFFFAOYSA-N
XLogP2.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol (CID 107124812) is 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is YICSBEYOWSTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)4-3-7-2-1-5-14-7/h6-8,13H,1-5H2.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 247.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 107124812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).