N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

C12H6BrN3O4S2 — CID 2323203

IUPACN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H6BrN3O4S2/c13-9-3-2-8(22-9)6-5-21-12(14-6)15-11(17)7-1-4-10(20-7)16(18)19/h1-5H,(H,14,15,17)
InChIKeyBCUODIYIQODXNY-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 2323203) has the molecular formula C12H6BrN3O4S2 and a molecular weight of 400.24 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID2323203
Molecular FormulaC12H6BrN3O4S2
Molecular Weight400.24 g/mol
Exact Mass398.90
IUPAC NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H6BrN3O4S2/c13-9-3-2-8(22-9)6-5-21-12(14-6)15-11(17)7-1-4-10(20-7)16(18)19/h1-5H,(H,14,15,17)
InChIKeyBCUODIYIQODXNY-UHFFFAOYSA-N
XLogP4.39
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 127049733
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(5-nitrothiophen-2-yl)quinoline-4-carboxamide
CID 71592356
5-nitro-N-[4-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 127048416
N-[5-(4-bromophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 137463397
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 156613225
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 16850297
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4280625
5-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1247348
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5495958

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 2323203) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is BCUODIYIQODXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrN3O4S2/c13-9-3-2-8(22-9)6-5-21-12(14-6)15-11(17)7-1-4-10(20-7)16(18)19/h1-5H,(H,14,15,17).
What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 400.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2323203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).