2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole

C19H21N3O2S3 — CID 50843856

IUPAC2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)s2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-14-19(12-18(26-14)17-13-25-15(2)20-17)27(23,24)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLQVQQKSBTFZZST-UHFFFAOYSA-N
MW419.60 g/mol
LogP4.00
Rot. Bonds4

About 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole

2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole (PubChem CID 50843856) has the molecular formula C19H21N3O2S3 and a molecular weight of 419.60 g/mol. Its IUPAC name is 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
PubChem CID50843856
Molecular FormulaC19H21N3O2S3
Molecular Weight419.60 g/mol
Exact Mass419.08
IUPAC Name2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)s2)cs1
InChIInChI=1S/C19H21N3O2S3/c1-14-19(12-18(26-14)17-13-25-15(2)20-17)27(23,24)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLQVQQKSBTFZZST-UHFFFAOYSA-N
XLogP4.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
CID 50844074
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4-methyl-1,3-thiazole
CID 50835831
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822112
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-5-methyl-1,2,4-oxadiazole
CID 53041516
2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
CID 53151793
1-[4-[4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 46396367
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50821719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole (CID 50843856) is 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole is Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)s2)cs1.
What is the InChIKey of 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole?
The InChIKey is LQVQQKSBTFZZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S3/c1-14-19(12-18(26-14)17-13-25-15(2)20-17)27(23,24)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole?
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole has a molecular weight of 419.60 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 50843856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).