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

C16H16N6O4S2 — CID 3936820

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc(NC(=O)CC3SC(N)=NC3=O)cc2)S1
InChIInChI=1S/C16H16N6O4S2/c17-15-21-13(25)9(27-15)5-11(23)19-7-1-2-8(4-3-7)20-12(24)6-10-14(26)22-16(18)28-10/h1-4,9-10H,5-6H2,(H,19,23)(H,20,24)(H2,17,21,25)(H2,18,22,26)
InChIKeySSQHVBSEOPRVSN-UHFFFAOYSA-N
MW420.48 g/mol
LogP0.26
Rot. Bonds6

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

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide (PubChem CID 3936820) has the molecular formula C16H16N6O4S2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
PubChem CID3936820
Molecular FormulaC16H16N6O4S2
Molecular Weight420.48 g/mol
Exact Mass420.07
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc(NC(=O)CC3SC(N)=NC3=O)cc2)S1
InChIInChI=1S/C16H16N6O4S2/c17-15-21-13(25)9(27-15)5-11(23)19-7-1-2-8(4-3-7)20-12(24)6-10-14(26)22-16(18)28-10/h1-4,9-10H,5-6H2,(H,19,23)(H,20,24)(H2,17,21,25)(H2,18,22,26)
InChIKeySSQHVBSEOPRVSN-UHFFFAOYSA-N
XLogP0.26
TPSA169.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1387313
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 2897686
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
CID 6554686
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
CID 11963349
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
CID 1355205
potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
CID 23696711
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 11963393
2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 17424688

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide (CID 3936820) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide is NC1=NC(=O)C(CC(=O)Nc2ccc(NC(=O)CC3SC(N)=NC3=O)cc2)S1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide?
The InChIKey is SSQHVBSEOPRVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S2/c17-15-21-13(25)9(27-15)5-11(23)19-7-1-2-8(4-3-7)20-12(24)6-10-14(26)22-16(18)28-10/h1-4,9-10H,5-6H2,(H,19,23)(H,20,24)(H2,17,21,25)(H2,18,22,26).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 3936820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).