2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C24H21ClN4O3S — CID 46393441

IUPAC2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H21ClN4O3S/c25-18-7-5-17(6-8-18)19-16-33-23(26-19)20-3-1-9-29(20)15-22(30)27-10-12-28(13-11-27)24(31)21-4-2-14-32-21/h1-9,14,16H,10-13,15H2
InChIKeyWPQBFHXNEQHGIF-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 46393441) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID46393441
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H21ClN4O3S/c25-18-7-5-17(6-8-18)19-16-33-23(26-19)20-3-1-9-29(20)15-22(30)27-10-12-28(13-11-27)24(31)21-4-2-14-32-21/h1-9,14,16H,10-13,15H2
InChIKeyWPQBFHXNEQHGIF-UHFFFAOYSA-N
XLogP4.51
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 53037463
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 50837077
1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 46393435
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-cyclopropylacetamide
CID 53037477
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836635
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 22554672

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 46393441) is 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WPQBFHXNEQHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c25-18-7-5-17(6-8-18)19-16-33-23(26-19)20-3-1-9-29(20)15-22(30)27-10-12-28(13-11-27)24(31)21-4-2-14-32-21/h1-9,14,16H,10-13,15H2.
What are the key properties of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 480.98 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46393441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).