6-propyl-3H-1,3-benzothiazol-2-one

C10H11NOS — CID 10726444

IUPAC6-propyl-3H-1,3-benzothiazol-2-one
SMILESCCCc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C10H11NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyDFXLVFVYVNIZBQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.54
Rot. Bonds2

About 6-propyl-3H-1,3-benzothiazol-2-one

6-propyl-3H-1,3-benzothiazol-2-one (PubChem CID 10726444) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 6-propyl-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-propyl-3H-1,3-benzothiazol-2-one
PubChem CID10726444
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name6-propyl-3H-1,3-benzothiazol-2-one
SMILESCCCc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C10H11NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyDFXLVFVYVNIZBQ-UHFFFAOYSA-N
XLogP2.54
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-propyl-3H-1,3-benzothiazol-2-one (CID 10726444) is 6-propyl-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-propyl-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-propyl-3H-1,3-benzothiazol-2-one is CCCc1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 6-propyl-3H-1,3-benzothiazol-2-one?
The InChIKey is DFXLVFVYVNIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 6-propyl-3H-1,3-benzothiazol-2-one?
6-propyl-3H-1,3-benzothiazol-2-one has a molecular weight of 193.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 10726444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).