4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C17H11BrN4O3S — CID 46430792

IUPAC4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3cc4cc(Br)ccc4o3)n2)c[nH]1
InChIInChI=1S/C17H11BrN4O3S/c18-10-1-2-13-8(3-10)5-14(25-13)16(24)22-17-21-12(7-26-17)9-4-11(15(19)23)20-6-9/h1-7,20H,(H2,19,23)(H,21,22,24)
InChIKeyPTFFKWYNHLRRRQ-UHFFFAOYSA-N
MW431.27 g/mol
LogP4.00
Rot. Bonds4

About 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 46430792) has the molecular formula C17H11BrN4O3S and a molecular weight of 431.27 g/mol. Its IUPAC name is 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID46430792
Molecular FormulaC17H11BrN4O3S
Molecular Weight431.27 g/mol
Exact Mass429.97
IUPAC Name4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3cc4cc(Br)ccc4o3)n2)c[nH]1
InChIInChI=1S/C17H11BrN4O3S/c18-10-1-2-13-8(3-10)5-14(25-13)16(24)22-17-21-12(7-26-17)9-4-11(15(19)23)20-6-9/h1-7,20H,(H2,19,23)(H,21,22,24)
InChIKeyPTFFKWYNHLRRRQ-UHFFFAOYSA-N
XLogP4.00
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-[2-[(5-bromo-2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30658540
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
4-[2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55528919
4-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55548782
methyl 4-[2-[(5-chlorofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 38159057
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 46430792) is 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)c3cc4cc(Br)ccc4o3)n2)c[nH]1.
What is the InChIKey of 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is PTFFKWYNHLRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O3S/c18-10-1-2-13-8(3-10)5-14(25-13)16(24)22-17-21-12(7-26-17)9-4-11(15(19)23)20-6-9/h1-7,20H,(H2,19,23)(H,21,22,24).
What are the key properties of 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46430792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).