4-hexan-3-yl-3H-1,3-thiazol-2-one

C9H15NOS — CID 123946948

IUPAC4-hexan-3-yl-3H-1,3-thiazol-2-one
SMILESCCCC(CC)c1csc(=O)[nH]1
InChIInChI=1S/C9H15NOS/c1-3-5-7(4-2)8-6-12-9(11)10-8/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyPWNVMFOIYXEACQ-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.73
Rot. Bonds4

About 4-hexan-3-yl-3H-1,3-thiazol-2-one

4-hexan-3-yl-3H-1,3-thiazol-2-one (PubChem CID 123946948) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-hexan-3-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hexan-3-yl-3H-1,3-thiazol-2-one
PubChem CID123946948
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-hexan-3-yl-3H-1,3-thiazol-2-one
SMILESCCCC(CC)c1csc(=O)[nH]1
InChIInChI=1S/C9H15NOS/c1-3-5-7(4-2)8-6-12-9(11)10-8/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyPWNVMFOIYXEACQ-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hexan-3-yl-3H-1,3-thiazol-2-one (CID 123946948) is 4-hexan-3-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hexan-3-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hexan-3-yl-3H-1,3-thiazol-2-one is CCCC(CC)c1csc(=O)[nH]1.
What is the InChIKey of 4-hexan-3-yl-3H-1,3-thiazol-2-one?
The InChIKey is PWNVMFOIYXEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-5-7(4-2)8-6-12-9(11)10-8/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-hexan-3-yl-3H-1,3-thiazol-2-one?
4-hexan-3-yl-3H-1,3-thiazol-2-one has a molecular weight of 185.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123946948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).