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

C22H18N4O2S3 — CID 14201120

IUPACN-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(Sc2sc(NC(C)=O)nc2-c2ccccc2)s1
InChIInChI=1S/C22H18N4O2S3/c1-13(27)23-21-25-17(15-9-5-3-6-10-15)19(30-21)29-20-18(16-11-7-4-8-12-16)26-22(31-20)24-14(2)28/h3-12H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyBHCZYMHDEWGFDW-UHFFFAOYSA-N
MW466.61 g/mol
LogP6.00
Rot. Bonds6

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

N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 14201120) has the molecular formula C22H18N4O2S3 and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID14201120
Molecular FormulaC22H18N4O2S3
Molecular Weight466.61 g/mol
Exact Mass466.06
IUPAC NameN-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(Sc2sc(NC(C)=O)nc2-c2ccccc2)s1
InChIInChI=1S/C22H18N4O2S3/c1-13(27)23-21-25-17(15-9-5-3-6-10-15)19(30-21)29-20-18(16-11-7-4-8-12-16)26-22(31-20)24-14(2)28/h3-12H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyBHCZYMHDEWGFDW-UHFFFAOYSA-N
XLogP6.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 139088849
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11580284
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036
N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 66486249
N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 1178648
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 14201120) is N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccccc2)c(Sc2sc(NC(C)=O)nc2-c2ccccc2)s1.
What is the InChIKey of N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is BHCZYMHDEWGFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S3/c1-13(27)23-21-25-17(15-9-5-3-6-10-15)19(30-21)29-20-18(16-11-7-4-8-12-16)26-22(31-20)24-14(2)28/h3-12H,1-2H3,(H,23,25,27)(H,24,26,28).
What are the key properties of N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide?
N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 466.61 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 14201120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).