N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C22H18N4O2S2 — CID 2230879

IUPACN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1
InChIInChI=1S/C22H18N4O2S2/c1-13-19(30-22(23-13)26-20(28)15-7-4-3-5-8-15)18-12-29-21(25-18)24-17-10-6-9-16(11-17)14(2)27/h3-12H,1-2H3,(H,24,25)(H,23,26,28)
InChIKeyXZMHJYWMCRQSSI-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.77
Rot. Bonds6

About N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2230879) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2230879
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC NameN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1
InChIInChI=1S/C22H18N4O2S2/c1-13-19(30-22(23-13)26-20(28)15-7-4-3-5-8-15)18-12-29-21(25-18)24-17-10-6-9-16(11-17)14(2)27/h3-12H,1-2H3,(H,24,25)(H,23,26,28)
InChIKeyXZMHJYWMCRQSSI-UHFFFAOYSA-N
XLogP5.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N,N'-Bis(4-methyl-2-thiazolyl)-terephthalamide
CID 269341
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2571939
1-[3-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-ethanone
CID 2866921
1-{3-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenyl}ethanone hydrobromide
CID 2877625
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4093356
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 4625935
N-(4'-Methyl-2-m-tolylamino-[4,5']bithiazolyl-2'-yl)-acetamide
CID 3112395

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 2230879) is N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1.
What is the InChIKey of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is XZMHJYWMCRQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c1-13-19(30-22(23-13)26-20(28)15-7-4-3-5-8-15)18-12-29-21(25-18)24-17-10-6-9-16(11-17)14(2)27/h3-12H,1-2H3,(H,24,25)(H,23,26,28).
What are the key properties of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 434.55 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2230879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).