N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide

C7H5N5O3S2 — CID 114033605

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C7H5N5O3S2/c8-6-10-11-7(17-6)9-5(13)3-1-2-4(16-3)12(14)15/h1-2H,(H2,8,10)(H,9,11,13)
InChIKeyTZDWGOMHBLXHKU-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.34
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide (PubChem CID 114033605) has the molecular formula C7H5N5O3S2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
PubChem CID114033605
Molecular FormulaC7H5N5O3S2
Molecular Weight271.28 g/mol
Exact Mass270.98
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C7H5N5O3S2/c8-6-10-11-7(17-6)9-5(13)3-1-2-4(16-3)12(14)15/h1-2H,(H2,8,10)(H,9,11,13)
InChIKeyTZDWGOMHBLXHKU-UHFFFAOYSA-N
XLogP1.34
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.34
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

N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-(5-amino-1,3,4-thiadiazol-2-yl)-4,5-difluoro-2-nitrobenzamide
CID 79515712
N-(5-amino-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 79515195
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 4110990
N-(4-methyl-1H-pyrazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 112691284
N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
CID 16796460
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
N-(3-methyl-1,2-oxazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 45284591
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
5-chloro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;5-chlorothiophene-2-carboxylic acid;5-nitro-1,3-thiazol-2-amine
CID 158781725
ethane;N-(3-hydroxy-4-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 143408110

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide (CID 114033605) is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide is Nc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The InChIKey is TZDWGOMHBLXHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O3S2/c8-6-10-11-7(17-6)9-5(13)3-1-2-4(16-3)12(14)15/h1-2H,(H2,8,10)(H,9,11,13).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 114033605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).