2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole

C20H19ClN2O2S2 — CID 1033169

IUPAC2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCCC1
InChIInChI=1S/C20H19ClN2O2S2/c21-17-8-4-16(5-9-17)20-22-19(14-26-20)15-6-10-18(11-7-15)27(24,25)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2
InChIKeyLWIJELGKEVLGKM-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.31
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole

2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (PubChem CID 1033169) has the molecular formula C20H19ClN2O2S2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
PubChem CID1033169
Molecular FormulaC20H19ClN2O2S2
Molecular Weight418.97 g/mol
Exact Mass418.06
IUPAC Name2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCCC1
InChIInChI=1S/C20H19ClN2O2S2/c21-17-8-4-16(5-9-17)20-22-19(14-26-20)15-6-10-18(11-7-15)27(24,25)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2
InChIKeyLWIJELGKEVLGKM-UHFFFAOYSA-N
XLogP5.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 18293013
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 163342619
4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
CID 135687417
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
N-(3,4-dichlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2852816
2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 154811104
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
1-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921685

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (CID 1033169) is 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is O=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The InChIKey is LWIJELGKEVLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S2/c21-17-8-4-16(5-9-17)20-22-19(14-26-20)15-6-10-18(11-7-15)27(24,25)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2.
What are the key properties of 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole has a molecular weight of 418.97 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 1033169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).