2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

C15H8BrN3O4S2 — CID 146023192

IUPAC2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nncs2)C1c1ccc(Br)s1)c1ccco1
InChIInChI=1S/C15H8BrN3O4S2/c16-9-4-3-8(25-9)11-10(12(20)7-2-1-5-23-7)13(21)14(22)19(11)15-18-17-6-24-15/h1-6,11,21H
InChIKeyNONCUDOPYDHGEC-UHFFFAOYSA-N
MW438.28 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 146023192) has the molecular formula C15H8BrN3O4S2 and a molecular weight of 438.28 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
PubChem CID146023192
Molecular FormulaC15H8BrN3O4S2
Molecular Weight438.28 g/mol
Exact Mass436.91
IUPAC Name2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nncs2)C1c1ccc(Br)s1)c1ccco1
InChIInChI=1S/C15H8BrN3O4S2/c16-9-4-3-8(25-9)11-10(12(20)7-2-1-5-23-7)13(21)14(22)19(11)15-18-17-6-24-15/h1-6,11,21H
InChIKeyNONCUDOPYDHGEC-UHFFFAOYSA-N
XLogP3.74
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023194
(2S)-2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 1334576
(2S)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 40969311
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037413
3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 91973237
2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 2910886
(2S)-2-(4-ethylphenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 40929428
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 40906808
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 4920718
1-(1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594512
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 3811046
1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587817

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (CID 146023192) is 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nncs2)C1c1ccc(Br)s1)c1ccco1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is NONCUDOPYDHGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3O4S2/c16-9-4-3-8(25-9)11-10(12(20)7-2-1-5-23-7)13(21)14(22)19(11)15-18-17-6-24-15/h1-6,11,21H.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 438.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 146023192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).