4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide

C19H14Cl2N2OS — CID 3722334

IUPAC4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H14Cl2N2OS/c1-2-9-22-18(24)12-3-5-13(6-4-12)19-23-17(11-25-19)15-8-7-14(20)10-16(15)21/h2-8,10-11H,1,9H2,(H,22,24)
InChIKeyKISPWBYSMDMDOK-UHFFFAOYSA-N
MW389.31 g/mol
LogP5.70
Rot. Bonds5

About 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide

4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide (PubChem CID 3722334) has the molecular formula C19H14Cl2N2OS and a molecular weight of 389.31 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
PubChem CID3722334
Molecular FormulaC19H14Cl2N2OS
Molecular Weight389.31 g/mol
Exact Mass388.02
IUPAC Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H14Cl2N2OS/c1-2-9-22-18(24)12-3-5-13(6-4-12)19-23-17(11-25-19)15-8-7-14(20)10-16(15)21/h2-8,10-11H,1,9H2,(H,22,24)
InChIKeyKISPWBYSMDMDOK-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.31
LogP ≤ 55.70
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 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide (CID 3722334) is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The InChIKey is KISPWBYSMDMDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2OS/c1-2-9-22-18(24)12-3-5-13(6-4-12)19-23-17(11-25-19)15-8-7-14(20)10-16(15)21/h2-8,10-11H,1,9H2,(H,22,24).
What are the key properties of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide has a molecular weight of 389.31 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 3722334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).