[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

C20H21ClN4O4S2 — CID 139897505

IUPAC[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5o4)CC3)sc2C1
InChIInChI=1S/C20H21ClN4O4S2/c1-23-5-4-15-17(12-23)30-19(22-15)20(26)24-6-8-25(9-7-24)31(27,28)18-10-13-2-3-14(21)11-16(13)29-18/h2-3,10-11H,4-9,12H2,1H3
InChIKeyVWGNKZWZUNRALV-UHFFFAOYSA-N
MW481.00 g/mol
LogP2.68
Rot. Bonds3

About [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (PubChem CID 139897505) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
PubChem CID139897505
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC Name[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5o4)CC3)sc2C1
InChIInChI=1S/C20H21ClN4O4S2/c1-23-5-4-15-17(12-23)30-19(22-15)20(26)24-6-8-25(9-7-24)31(27,28)18-10-13-2-3-14(21)11-16(13)29-18/h2-3,10-11H,4-9,12H2,1H3
InChIKeyVWGNKZWZUNRALV-UHFFFAOYSA-N
XLogP2.68
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139897812
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22627981
6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
CID 139897624
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
CID 10256934
4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylic acid
CID 139897988
2-[4-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carbonyl]piperazin-1-yl]acetic acid
CID 139897720
5-[[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 139897076
2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
CID 139897437
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22711230
1-[[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]pyrrolidine-2,5-dione
CID 139898071
3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,2,4-oxadiazolidin-5-one
CID 139897586

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The IUPAC name of [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (CID 139897505) is [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5o4)CC3)sc2C1.
What is the InChIKey of [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
The InChIKey is VWGNKZWZUNRALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-23-5-4-15-17(12-23)30-19(22-15)20(26)24-6-8-25(9-7-24)31(27,28)18-10-13-2-3-14(21)11-16(13)29-18/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone has a molecular weight of 481.00 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is sourced from PubChem (CID 139897505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).