2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C10H9N5O4S2 — CID 22678801

IUPAC2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cs1
InChIInChI=1S/C10H9N5O4S2/c1-5(16)12-10-13-6(4-20-10)2-7(17)14-9-11-3-8(21-9)15(18)19/h3-4H,2H2,1H3,(H,11,14,17)(H,12,13,16)
InChIKeyAXPVHYJAVIPBRV-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 22678801) has the molecular formula C10H9N5O4S2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID22678801
Molecular FormulaC10H9N5O4S2
Molecular Weight327.35 g/mol
Exact Mass327.01
IUPAC Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cs1
InChIInChI=1S/C10H9N5O4S2/c1-5(16)12-10-13-6(4-20-10)2-7(17)14-9-11-3-8(21-9)15(18)19/h3-4H,2H2,1H3,(H,11,14,17)(H,12,13,16)
InChIKeyAXPVHYJAVIPBRV-UHFFFAOYSA-N
XLogP1.65
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820226
2,2-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 4634913
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
tributylstannyl 4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutanoate
CID 139239847
3-[(4-methylphenyl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 17154103
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 22678801) is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cs1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is AXPVHYJAVIPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S2/c1-5(16)12-10-13-6(4-20-10)2-7(17)14-9-11-3-8(21-9)15(18)19/h3-4H,2H2,1H3,(H,11,14,17)(H,12,13,16).
What are the key properties of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 327.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22678801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).