4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole

C19H20N2O2S3 — CID 171703804

IUPAC4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccsc4)n3)cc2)CC1
InChIInChI=1S/C19H20N2O2S3/c1-14-6-9-21(10-7-14)26(22,23)17-4-2-15(3-5-17)18-13-25-19(20-18)16-8-11-24-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyHYJZPOORFRBRQW-UHFFFAOYSA-N
MW404.58 g/mol
LogP4.96
Rot. Bonds4

About 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole

4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 171703804) has the molecular formula C19H20N2O2S3 and a molecular weight of 404.58 g/mol. Its IUPAC name is 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID171703804
Molecular FormulaC19H20N2O2S3
Molecular Weight404.58 g/mol
Exact Mass404.07
IUPAC Name4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccsc4)n3)cc2)CC1
InChIInChI=1S/C19H20N2O2S3/c1-14-6-9-21(10-7-14)26(22,23)17-4-2-15(3-5-17)18-13-25-19(20-18)16-8-11-24-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyHYJZPOORFRBRQW-UHFFFAOYSA-N
XLogP4.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
CID 135687417
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 18293013
4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
CID 86895900
N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 24656783
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole (CID 171703804) is 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole is CC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccsc4)n3)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is HYJZPOORFRBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S3/c1-14-6-9-21(10-7-14)26(22,23)17-4-2-15(3-5-17)18-13-25-19(20-18)16-8-11-24-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3.
What are the key properties of 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole?
4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 404.58 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 171703804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).