4-(4-propylphenyl)-3H-1,3-thiazol-2-one

C12H13NOS — CID 43286737

IUPAC4-(4-propylphenyl)-3H-1,3-thiazol-2-one
SMILESCCCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H13NOS/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(14)13-11/h4-8H,2-3H2,1H3,(H,13,14)
InChIKeyGVQNYFUXIFKYTA-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.06
Rot. Bonds3

About 4-(4-propylphenyl)-3H-1,3-thiazol-2-one

4-(4-propylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 43286737) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(4-propylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-propylphenyl)-3H-1,3-thiazol-2-one
PubChem CID43286737
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-(4-propylphenyl)-3H-1,3-thiazol-2-one
SMILESCCCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H13NOS/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(14)13-11/h4-8H,2-3H2,1H3,(H,13,14)
InChIKeyGVQNYFUXIFKYTA-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-propylphenyl)-3H-1,3-thiazol-2-one (CID 43286737) is 4-(4-propylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-propylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-propylphenyl)-3H-1,3-thiazol-2-one is CCCc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-propylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is GVQNYFUXIFKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-3-9-4-6-10(7-5-9)11-8-15-12(14)13-11/h4-8H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-(4-propylphenyl)-3H-1,3-thiazol-2-one?
4-(4-propylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 219.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).