N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C8H5N3O3S2 — CID 3139607

IUPACN-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc([N+](=O)[O-])cs1)c1cccs1
InChIInChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-6(4-16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKeyGYJVKRSLDIJTPV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.37
Rot. Bonds3

About N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 3139607) has the molecular formula C8H5N3O3S2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID3139607
Molecular FormulaC8H5N3O3S2
Molecular Weight255.28 g/mol
Exact Mass254.98
IUPAC NameN-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc([N+](=O)[O-])cs1)c1cccs1
InChIInChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-6(4-16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKeyGYJVKRSLDIJTPV-UHFFFAOYSA-N
XLogP2.37
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.37
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-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445
3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 39175981
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 3139607) is N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc([N+](=O)[O-])cs1)c1cccs1.
What is the InChIKey of N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GYJVKRSLDIJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-6(4-16-8)11(13)14/h1-4H,(H,9,10,12).
What are the key properties of N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3139607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).