N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C12H10N2O2S — CID 155546251

IUPACN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C12H10N2O2S/c1-2-11(16)14-12-13-9(7-17-12)8-5-3-4-6-10(8)15/h2-7,15H,1H2,(H,13,14,16)
InChIKeyMWODTHSUSGJTJI-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.64
Rot. Bonds3

About N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 155546251) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID155546251
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C12H10N2O2S/c1-2-11(16)14-12-13-9(7-17-12)8-5-3-4-6-10(8)15/h2-7,15H,1H2,(H,13,14,16)
InChIKeyMWODTHSUSGJTJI-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 155546251) is N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(-c2ccccc2O)cs1.
What is the InChIKey of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is MWODTHSUSGJTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-11(16)14-12-13-9(7-17-12)8-5-3-4-6-10(8)15/h2-7,15H,1H2,(H,13,14,16).
What are the key properties of N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 246.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 155546251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).