4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole

C18H19N3O2S4 — CID 46815210

IUPAC4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(SCc2csc(-c3cccs3)n2)nc1)N1CCCCC1
InChIInChI=1S/C18H19N3O2S4/c22-27(23,21-8-2-1-3-9-21)15-6-7-17(19-11-15)25-12-14-13-26-18(20-14)16-5-4-10-24-16/h4-7,10-11,13H,1-3,8-9,12H2
InChIKeyINNRYIAMIARKOK-UHFFFAOYSA-N
MW437.64 g/mol
LogP4.73
Rot. Bonds6

About 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole

4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 46815210) has the molecular formula C18H19N3O2S4 and a molecular weight of 437.64 g/mol. Its IUPAC name is 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID46815210
Molecular FormulaC18H19N3O2S4
Molecular Weight437.64 g/mol
Exact Mass437.04
IUPAC Name4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(SCc2csc(-c3cccs3)n2)nc1)N1CCCCC1
InChIInChI=1S/C18H19N3O2S4/c22-27(23,21-8-2-1-3-9-21)15-6-7-17(19-11-15)25-12-14-13-26-18(20-14)16-5-4-10-24-16/h4-7,10-11,13H,1-3,8-9,12H2
InChIKeyINNRYIAMIARKOK-UHFFFAOYSA-N
XLogP4.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole with MolForge

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Related Compounds

N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 17427828
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 17438130
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 41061664
5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17469667
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211
1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
CID 24630092
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
5-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649677
4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 24598514

Frequently Asked Questions

What is the IUPAC name of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole (CID 46815210) is 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole is O=S(=O)(c1ccc(SCc2csc(-c3cccs3)n2)nc1)N1CCCCC1.
What is the InChIKey of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is INNRYIAMIARKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S4/c22-27(23,21-8-2-1-3-9-21)15-6-7-17(19-11-15)25-12-14-13-26-18(20-14)16-5-4-10-24-16/h4-7,10-11,13H,1-3,8-9,12H2.
What are the key properties of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole?
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 437.64 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 46815210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).