4-pentyl-3H-1,3-thiazol-2-one

C8H13NOS — CID 67424068

IUPAC4-pentyl-3H-1,3-thiazol-2-one
SMILESCCCCCc1csc(=O)[nH]1
InChIInChI=1S/C8H13NOS/c1-2-3-4-5-7-6-11-8(10)9-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyDTEFAWSQCKHGTD-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.17
Rot. Bonds4

About 4-pentyl-3H-1,3-thiazol-2-one

4-pentyl-3H-1,3-thiazol-2-one (PubChem CID 67424068) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-pentyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-pentyl-3H-1,3-thiazol-2-one
PubChem CID67424068
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name4-pentyl-3H-1,3-thiazol-2-one
SMILESCCCCCc1csc(=O)[nH]1
InChIInChI=1S/C8H13NOS/c1-2-3-4-5-7-6-11-8(10)9-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyDTEFAWSQCKHGTD-UHFFFAOYSA-N
XLogP2.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-pentyl-3H-1,3-thiazol-2-one (CID 67424068) is 4-pentyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-pentyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-pentyl-3H-1,3-thiazol-2-one is CCCCCc1csc(=O)[nH]1.
What is the InChIKey of 4-pentyl-3H-1,3-thiazol-2-one?
The InChIKey is DTEFAWSQCKHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-3-4-5-7-6-11-8(10)9-7/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-pentyl-3H-1,3-thiazol-2-one?
4-pentyl-3H-1,3-thiazol-2-one has a molecular weight of 171.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 67424068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).