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

C6H8ClNOS — CID 133055082

IUPAC3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol
SMILESOCCCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c7-6-8-4-5(10-6)2-1-3-9/h4,9H,1-3H2
InChIKeyGYMNPNKWYGBECL-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.72
Rot. Bonds3

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

3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 133055082) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol
PubChem CID133055082
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol
SMILESOCCCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c7-6-8-4-5(10-6)2-1-3-9/h4,9H,1-3H2
InChIKeyGYMNPNKWYGBECL-UHFFFAOYSA-N
XLogP1.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol (CID 133055082) is 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol is OCCCc1cnc(Cl)s1.
What is the InChIKey of 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is GYMNPNKWYGBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c7-6-8-4-5(10-6)2-1-3-9/h4,9H,1-3H2.
What are the key properties of 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol?
3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 177.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 133055082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).