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

C29H21N3O2S — CID 118710004

IUPACN-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C29H21N3O2S/c33-27(31-29-30-23-14-7-8-16-26(23)35-29)19-32-24(21-12-5-2-6-13-21)18-22(20-10-3-1-4-11-20)28(32)25-15-9-17-34-25/h1-18H,19H2,(H,30,31,33)
InChIKeyZSLHGSFCTYZZCS-UHFFFAOYSA-N
MW475.57 g/mol
LogP7.33
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide (PubChem CID 118710004) has the molecular formula C29H21N3O2S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
PubChem CID118710004
Molecular FormulaC29H21N3O2S
Molecular Weight475.57 g/mol
Exact Mass475.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)Nc1nc2ccccc2s1
InChIInChI=1S/C29H21N3O2S/c33-27(31-29-30-23-14-7-8-16-26(23)35-29)19-32-24(21-12-5-2-6-13-21)18-22(20-10-3-1-4-11-20)28(32)25-15-9-17-34-25/h1-18H,19H2,(H,30,31,33)
InChIKeyZSLHGSFCTYZZCS-UHFFFAOYSA-N
XLogP7.33
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-phenoxypropyl)thiazole-4-carboxylic acid
CID 46836568
3-Benzothiazol-2-yl-2-furan-2-yl-3H-quinazolin-4-one
CID 934475
N-isopropyl-6-(4-phenyloxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448074
3-cyclopentyl-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 44474003
N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 687454
N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2371466
1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4876376
2-[1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]indol-3-yl]-2-oxo-N-phenylacetamide
CID 145954484
2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2334294
2-{4-[(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-phenyl-methyl]-piperazin-1-yl}-benzothiazole
CID 3210068
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 9117671
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 9400565

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide (CID 118710004) is N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide is O=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
The InChIKey is ZSLHGSFCTYZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2S/c33-27(31-29-30-23-14-7-8-16-26(23)35-29)19-32-24(21-12-5-2-6-13-21)18-22(20-10-3-1-4-11-20)28(32)25-15-9-17-34-25/h1-18H,19H2,(H,30,31,33).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetamide is sourced from PubChem (CID 118710004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).