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

C15H18N2O2S2 — CID 943173

IUPAC2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-12-16-15(11-20-12)13-6-5-7-14(10-13)21(18,19)17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyJTPNKZSGWYQBIE-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.29
Rot. Bonds3

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

2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (PubChem CID 943173) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
PubChem CID943173
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-12-16-15(11-20-12)13-6-5-7-14(10-13)21(18,19)17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyJTPNKZSGWYQBIE-UHFFFAOYSA-N
XLogP3.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
1-(Methylsulfonyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine
CID 618556
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
5-ethylsulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 8034886
1-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-4-methanesulfonyl-piperazine
CID 778231
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
1-[5-(benzenesulfonyl)-4-phenyl-1,3-thiazol-2-yl]-N-methylmethanamine
CID 57687718
4-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 829818
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (CID 943173) is 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is Cc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs1.
What is the InChIKey of 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The InChIKey is JTPNKZSGWYQBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-12-16-15(11-20-12)13-6-5-7-14(10-13)21(18,19)17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole has a molecular weight of 322.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 943173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).