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

C22H18N4O2S2 — CID 1178648

IUPACN-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O2S2/c1-13(27)23-19-17(15-9-5-3-6-10-15)25-21(29-19)22-26-18(16-11-7-4-8-12-16)20(30-22)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)
InChIKeyPGVFOLWLWIOLCX-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.52
Rot. Bonds5

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

N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide (PubChem CID 1178648) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
PubChem CID1178648
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC NameN-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O2S2/c1-13(27)23-19-17(15-9-5-3-6-10-15)25-21(29-19)22-26-18(16-11-7-4-8-12-16)20(30-22)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)
InChIKeyPGVFOLWLWIOLCX-UHFFFAOYSA-N
XLogP5.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide (CID 1178648) is N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is PGVFOLWLWIOLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c1-13(27)23-19-17(15-9-5-3-6-10-15)25-21(29-19)22-26-18(16-11-7-4-8-12-16)20(30-22)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 434.55 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 1178648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).