2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

C19H21N3O2S3 — CID 55630104

IUPAC2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-14-20-16(12-25-14)11-19-21-18(13-26-19)15-5-7-17(8-6-15)27(23,24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyGWDPZKJHJAZDQS-UHFFFAOYSA-N
MW419.60 g/mol
LogP4.34
Rot. Bonds5

About 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (PubChem CID 55630104) has the molecular formula C19H21N3O2S3 and a molecular weight of 419.60 g/mol. Its IUPAC name is 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
PubChem CID55630104
Molecular FormulaC19H21N3O2S3
Molecular Weight419.60 g/mol
Exact Mass419.08
IUPAC Name2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-14-20-16(12-25-14)11-19-21-18(13-26-19)15-5-7-17(8-6-15)27(23,24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyGWDPZKJHJAZDQS-UHFFFAOYSA-N
XLogP4.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422820
1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 157283485
1-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921685
3-ethyl-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentan-2-one
CID 157094162
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
1-[2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 52587338
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-(2-methylphenoxy)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 159448954
N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 47027508
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (CID 55630104) is 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is Cc1nc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is GWDPZKJHJAZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S3/c1-14-20-16(12-25-14)11-19-21-18(13-26-19)15-5-7-17(8-6-15)27(23,24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 419.60 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 55630104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).