3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide

C14H20N4O3S2 — CID 90621895

IUPAC3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C14H20N4O3S2/c1-10-13(11(2)21-17-10)23(19,20)16-8-12-4-3-6-18(9-12)14-15-5-7-22-14/h5,7,12,16H,3-4,6,8-9H2,1-2H3
InChIKeyWLCFDQXSMIIWRW-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds5

About 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 90621895) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID90621895
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C14H20N4O3S2/c1-10-13(11(2)21-17-10)23(19,20)16-8-12-4-3-6-18(9-12)14-15-5-7-22-14/h5,7,12,16H,3-4,6,8-9H2,1-2H3
InChIKeyWLCFDQXSMIIWRW-UHFFFAOYSA-N
XLogP1.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90621953
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 121145108
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621661
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 30085204
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 90621895) is 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1CCCN(c2nccs2)C1.
What is the InChIKey of 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is WLCFDQXSMIIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-10-13(11(2)21-17-10)23(19,20)16-8-12-4-3-6-18(9-12)14-15-5-7-22-14/h5,7,12,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 90621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).