5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one

C10H15NOS — CID 83161536

IUPAC5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one
SMILESCC(C)CCCC(=O)c1cscn1
InChIInChI=1S/C10H15NOS/c1-8(2)4-3-5-10(12)9-6-13-7-11-9/h6-8H,3-5H2,1-2H3
InChIKeyQLSOCXBTQZUAOZ-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.15
Rot. Bonds5

About 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one

5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one (PubChem CID 83161536) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one
PubChem CID83161536
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one
SMILESCC(C)CCCC(=O)c1cscn1
InChIInChI=1S/C10H15NOS/c1-8(2)4-3-5-10(12)9-6-13-7-11-9/h6-8H,3-5H2,1-2H3
InChIKeyQLSOCXBTQZUAOZ-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one?
The IUPAC name of 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one (CID 83161536) is 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one is CC(C)CCCC(=O)c1cscn1.
What is the InChIKey of 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one?
The InChIKey is QLSOCXBTQZUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(2)4-3-5-10(12)9-6-13-7-11-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one?
5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one has a molecular weight of 197.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one is sourced from PubChem (CID 83161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).