5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide

C17H15BrN4O3S — CID 55774014

IUPAC5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1
InChIInChI=1S/C17H15BrN4O3S/c1-2-4-14-21-22-17(26-14)20-15(23)10-5-3-6-11(9-10)19-16(24)12-7-8-13(18)25-12/h3,5-9H,2,4H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyXLPUSOZHQVMVLF-UHFFFAOYSA-N
MW435.30 g/mol
LogP4.35
Rot. Bonds6

About 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55774014) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55774014
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC Name5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1
InChIInChI=1S/C17H15BrN4O3S/c1-2-4-14-21-22-17(26-14)20-15(23)10-5-3-6-11(9-10)19-16(24)12-7-8-13(18)25-12/h3,5-9H,2,4H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyXLPUSOZHQVMVLF-UHFFFAOYSA-N
XLogP4.35
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 52644872
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321477
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 55774014) is 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide is CCCc1nnc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1.
What is the InChIKey of 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XLPUSOZHQVMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c1-2-4-14-21-22-17(26-14)20-15(23)10-5-3-6-11(9-10)19-16(24)12-7-8-13(18)25-12/h3,5-9H,2,4H2,1H3,(H,19,24)(H,20,22,23).
What are the key properties of 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55774014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).