2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H8N4O3S — CID 3447971

IUPAC2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nncs1
InChIInChI=1S/C10H8N4O3S/c15-9(12-10-13-11-6-18-10)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H,12,13,15)
InChIKeySULQSGMHARPLGM-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.63
Rot. Bonds4

About 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3447971) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3447971
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nncs1
InChIInChI=1S/C10H8N4O3S/c15-9(12-10-13-11-6-18-10)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H,12,13,15)
InChIKeySULQSGMHARPLGM-UHFFFAOYSA-N
XLogP1.63
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4302593
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474780
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 3447971) is 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nncs1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SULQSGMHARPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-9(12-10-13-11-6-18-10)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H,12,13,15).
What are the key properties of 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 264.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3447971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).