N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

C17H13ClN2OS — CID 888932

IUPACN-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13ClN2OS/c1-11(21)19-17-15(12-5-3-2-4-6-12)20-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)
InChIKeyZFXPADJNZXDMOZ-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.09
Rot. Bonds3

About N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (PubChem CID 888932) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
PubChem CID888932
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC NameN-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13ClN2OS/c1-11(21)19-17-15(12-5-3-2-4-6-12)20-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)
InChIKeyZFXPADJNZXDMOZ-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (CID 888932) is N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is ZFXPADJNZXDMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-11(21)19-17-15(12-5-3-2-4-6-12)20-16(22-17)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 328.82 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 888932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).