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

C12H20ClNOS — CID 107124840

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1ncc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-3-5-6-9(4-2)7-10(15)12-14-8-11(13)16-12/h8-10,15H,3-7H2,1-2H3
InChIKeyRACGFTBPQJVTGY-UHFFFAOYSA-N
MW261.82 g/mol
LogP4.44
Rot. Bonds7

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

1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol (PubChem CID 107124840) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol
PubChem CID107124840
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1ncc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-3-5-6-9(4-2)7-10(15)12-14-8-11(13)16-12/h8-10,15H,3-7H2,1-2H3
InChIKeyRACGFTBPQJVTGY-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol (CID 107124840) is 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol?
The InChIKey is RACGFTBPQJVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-3-5-6-9(4-2)7-10(15)12-14-8-11(13)16-12/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol has a molecular weight of 261.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 107124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).