2-prop-2-enyl-1,3-thiazol-4-ol

C6H7NOS — CID 70583965

IUPAC2-prop-2-enyl-1,3-thiazol-4-ol
SMILESC=CCc1nc(O)cs1
InChIInChI=1S/C6H7NOS/c1-2-3-6-7-5(8)4-9-6/h2,4,8H,1,3H2
InChIKeyPIOADPWQGGCRJA-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.58
Rot. Bonds2

About 2-prop-2-enyl-1,3-thiazol-4-ol

2-prop-2-enyl-1,3-thiazol-4-ol (PubChem CID 70583965) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-prop-2-enyl-1,3-thiazol-4-ol
PubChem CID70583965
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-prop-2-enyl-1,3-thiazol-4-ol
SMILESC=CCc1nc(O)cs1
InChIInChI=1S/C6H7NOS/c1-2-3-6-7-5(8)4-9-6/h2,4,8H,1,3H2
InChIKeyPIOADPWQGGCRJA-UHFFFAOYSA-N
XLogP1.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3-thiazol-4-ol?
The IUPAC name of 2-prop-2-enyl-1,3-thiazol-4-ol (CID 70583965) is 2-prop-2-enyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-prop-2-enyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-prop-2-enyl-1,3-thiazol-4-ol is C=CCc1nc(O)cs1.
What is the InChIKey of 2-prop-2-enyl-1,3-thiazol-4-ol?
The InChIKey is PIOADPWQGGCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-3-6-7-5(8)4-9-6/h2,4,8H,1,3H2.
What are the key properties of 2-prop-2-enyl-1,3-thiazol-4-ol?
2-prop-2-enyl-1,3-thiazol-4-ol has a molecular weight of 141.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3-thiazol-4-ol is sourced from PubChem (CID 70583965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).