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

C13H12N2O2S — CID 43405519

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H12N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h3-8H,1H2,2H3,(H,14,15,16)
InChIKeyPQYTXSGETAGLQO-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.94
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 43405519) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID43405519
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H12N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h3-8H,1H2,2H3,(H,14,15,16)
InChIKeyPQYTXSGETAGLQO-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 43405519) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is PQYTXSGETAGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h3-8H,1H2,2H3,(H,14,15,16).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 260.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 43405519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).