N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide

C27H19N3O3S — CID 118710012

IUPACN-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C27H19N3O3S/c31-25(29-27-28-20-10-4-5-13-24(20)34-27)17-30-21(18-8-2-1-3-9-18)16-19(22-11-6-14-32-22)26(30)23-12-7-15-33-23/h1-16H,17H2,(H,28,29,31)
InChIKeyFHHIWEDXWIGGSR-UHFFFAOYSA-N
MW465.53 g/mol
LogP6.92
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide (PubChem CID 118710012) has the molecular formula C27H19N3O3S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide
PubChem CID118710012
Molecular FormulaC27H19N3O3S
Molecular Weight465.53 g/mol
Exact Mass465.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C27H19N3O3S/c31-25(29-27-28-20-10-4-5-13-24(20)34-27)17-30-21(18-8-2-1-3-9-18)16-19(22-11-6-14-32-22)26(30)23-12-7-15-33-23/h1-16H,17H2,(H,28,29,31)
InChIKeyFHHIWEDXWIGGSR-UHFFFAOYSA-N
XLogP6.92
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
[4-(Furan-2-yl)-2-{[2-(thiophen-2-yl)ethyl]amino}-1,3-thiazol-5-yl](phenyl)methanone
CID 44581428
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429
N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2371466
Ethyl 1-{2-[(6-ethoxy-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4126008
1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4876376
(2-(Benzyl(2-(thiophen-2-yl)ethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 44581472
N-(1,3-benzothiazol-2-yl)-2-[2-(2-furyl)-5-(2-naphthyl)-3-phenyl-pyrrol-1-yl]acetamide
CID 118710017
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3-naphthalen-1-yl-5-phenylpyrrol-1-yl]acetamide
CID 118710020
2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(4-(furan-2-yl)thiazol-2-yl)acetamide
CID 56765746

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide (CID 118710012) is N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide is O=C(Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide?
The InChIKey is FHHIWEDXWIGGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3S/c31-25(29-27-28-20-10-4-5-13-24(20)34-27)17-30-21(18-8-2-1-3-9-18)16-19(22-11-6-14-32-22)26(30)23-12-7-15-33-23/h1-16H,17H2,(H,28,29,31).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide has a molecular weight of 465.53 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetamide is sourced from PubChem (CID 118710012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).