N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C14H9N3O3S2 — CID 43032437

IUPACN-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H9N3O3S2/c18-13(15-9-3-5-10(6-4-9)17(19)20)11-8-22-14(16-11)12-2-1-7-21-12/h1-8H,(H,15,18)
InChIKeySCVPUYPECRXOOT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.03
Rot. Bonds4

About N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 43032437) has the molecular formula C14H9N3O3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID43032437
Molecular FormulaC14H9N3O3S2
Molecular Weight331.38 g/mol
Exact Mass331.01
IUPAC NameN-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H9N3O3S2/c18-13(15-9-3-5-10(6-4-9)17(19)20)11-8-22-14(16-11)12-2-1-7-21-12/h1-8H,(H,15,18)
InChIKeySCVPUYPECRXOOT-UHFFFAOYSA-N
XLogP4.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.03
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

N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 43032437) is N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SCVPUYPECRXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S2/c18-13(15-9-3-5-10(6-4-9)17(19)20)11-8-22-14(16-11)12-2-1-7-21-12/h1-8H,(H,15,18).
What are the key properties of N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43032437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).