N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide

C19H12BrN3O3S — CID 52644872

IUPACN-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C19H12BrN3O3S/c20-16-9-8-14(26-16)18(25)21-12-5-3-4-11(10-12)17(24)23-19-22-13-6-1-2-7-15(13)27-19/h1-10H,(H,21,25)(H,22,23,24)
InChIKeyNQHRZXAZMFXPNQ-UHFFFAOYSA-N
MW442.29 g/mol
LogP5.16
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide

N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide (PubChem CID 52644872) has the molecular formula C19H12BrN3O3S and a molecular weight of 442.29 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
PubChem CID52644872
Molecular FormulaC19H12BrN3O3S
Molecular Weight442.29 g/mol
Exact Mass440.98
IUPAC NameN-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C19H12BrN3O3S/c20-16-9-8-14(26-16)18(25)21-12-5-3-4-11(10-12)17(24)23-19-22-13-6-1-2-7-15(13)27-19/h1-10H,(H,21,25)(H,22,23,24)
InChIKeyNQHRZXAZMFXPNQ-UHFFFAOYSA-N
XLogP5.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.29
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
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
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
5-bromo-N-[3-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 60514549
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 1308942

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide (CID 52644872) is N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is NQHRZXAZMFXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3S/c20-16-9-8-14(26-16)18(25)21-12-5-3-4-11(10-12)17(24)23-19-22-13-6-1-2-7-15(13)27-19/h1-10H,(H,21,25)(H,22,23,24).
What are the key properties of N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide?
N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 442.29 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 52644872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).